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Cyclohexyl halides

Organic compounds that contain a six (6) carbon closed ring, and one of the hydrogen atoms is replaced with a halogen atom; halogen atoms include bromine, chlorine, fluorine, and iodine.

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1

(Perfluorocyclohexyl)methyl acrylate, 96%, stab. with 50ppm to 100ppm 4-methoxyphenol

CAS: 40677-94-9 Molecular Formula: C10H5F11O2 Molecular Weight (g/mol): 366.13 MDL Number: MFCD00080614 InChI Key: OZGWOALFBHODRB-UHFFFAOYSA-N Synonym: perfluorocyclohexylmethyl acrylate,perfluorocyclohexyl methyl acrylate,undecafluorocyclohexyl methyl prop-2-enoate,1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl methyl prop-2-enoate,acrylic acid 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexylmethyl ester,1,2,2,3,3,4,4,5,5,6,6-undecakis fluoranyl cyclohexyl methyl prop-2-enoate,2-propenoic acid 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl methyl ester PubChem CID: 2776049 IUPAC Name: (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl prop-2-enoate SMILES: C=CC(=O)OCC1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F

PubChem CID 2776049
CAS 40677-94-9
Molecular Weight (g/mol) 366.13
MDL Number MFCD00080614
SMILES C=CC(=O)OCC1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F
Synonym perfluorocyclohexylmethyl acrylate,perfluorocyclohexyl methyl acrylate,undecafluorocyclohexyl methyl prop-2-enoate,1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl methyl prop-2-enoate,acrylic acid 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexylmethyl ester,1,2,2,3,3,4,4,5,5,6,6-undecakis fluoranyl cyclohexyl methyl prop-2-enoate,2-propenoic acid 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl methyl ester
IUPAC Name (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl prop-2-enoate
InChI Key OZGWOALFBHODRB-UHFFFAOYSA-N
Molecular Formula C10H5F11O2
2

trans-1,2-Dichlorocyclohexane, TRC

CAS: 822-86-6 Molecular Formula: C6H10Cl2 Molecular Weight (g/mol): 153.05 IUPAC Name: (1R,2R)-1,2-dichlorocyclohexane SMILES: Cl[C@@H]1CCCC[C@H]1Cl

CAS 822-86-6
Molecular Weight (g/mol) 153.05
SMILES Cl[C@@H]1CCCC[C@H]1Cl
IUPAC Name (1R,2R)-1,2-dichlorocyclohexane
Molecular Formula C6H10Cl2
3

1-Bromo-4-methylcyclohexane, cis + trans, 97%

CAS: 6294-40-2 Molecular Formula: C7H13Br Molecular Weight (g/mol): 177.085 MDL Number: MFCD00014282 InChI Key: RLOHLPHAOHGRNM-UHFFFAOYSA-N Synonym: cyclohexane, 1-bromo-4-methyl,p-methylcyclohexyl bromide,4-bromo-1-methylcyclohexane,4-methylcyclohexyl bromide,acmc-1b9h5,1-bromo-4-methyl-cyclohexane,4-methylcyclohexyl bromide cis+trans,cyclohexane, 1-bromo-4-methyl-, trans,1-bromo-4-methylcyclohexane, cis + trans PubChem CID: 22727 IUPAC Name: 1-bromo-4-methylcyclohexane SMILES: CC1CCC(CC1)Br

PubChem CID 22727
CAS 6294-40-2
Molecular Weight (g/mol) 177.085
MDL Number MFCD00014282
SMILES CC1CCC(CC1)Br
Synonym cyclohexane, 1-bromo-4-methyl,p-methylcyclohexyl bromide,4-bromo-1-methylcyclohexane,4-methylcyclohexyl bromide,acmc-1b9h5,1-bromo-4-methyl-cyclohexane,4-methylcyclohexyl bromide cis+trans,cyclohexane, 1-bromo-4-methyl-, trans,1-bromo-4-methylcyclohexane, cis + trans
IUPAC Name 1-bromo-4-methylcyclohexane
InChI Key RLOHLPHAOHGRNM-UHFFFAOYSA-N
Molecular Formula C7H13Br
4

Perfluoro(methylcyclohexane), 94%, Thermo Scientific Chemicals

CAS: 355-02-2 Molecular Formula: C7F14 Molecular Weight (g/mol): 350.06 MDL Number: MFCD00001468 InChI Key: QIROQPWSJUXOJC-UHFFFAOYSA-N Synonym: perfluoro methylcyclohexane,perfluoromethylcyclohexane,flutec pp2,undecafluoro trifluoromethyl cyclohexane,tetradecafluoromethylcyclohexane,cyclohexane, undecafluoro trifluoromethyl,unii-vj9772yw63,1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-trifluoromethyl cyclohexane,cyclohexane, 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-trifluoromethyl,perfluoro methylcyclohexane , pmch PubChem CID: 9637 IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane SMILES: FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

PubChem CID 9637
CAS 355-02-2
Molecular Weight (g/mol) 350.06
MDL Number MFCD00001468
SMILES FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
Synonym perfluoro methylcyclohexane,perfluoromethylcyclohexane,flutec pp2,undecafluoro trifluoromethyl cyclohexane,tetradecafluoromethylcyclohexane,cyclohexane, undecafluoro trifluoromethyl,unii-vj9772yw63,1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-trifluoromethyl cyclohexane,cyclohexane, 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-trifluoromethyl,perfluoro methylcyclohexane , pmch
IUPAC Name 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane
InChI Key QIROQPWSJUXOJC-UHFFFAOYSA-N
Molecular Formula C7F14
5

Bromocyclohexane, 98%

CAS: 108-85-0 Molecular Formula: C6H11Br Molecular Weight (g/mol): 163.06 MDL Number: MFCD00003819 InChI Key: AQNQQHJNRPDOQV-UHFFFAOYSA-N Synonym: cyclohexyl bromide,cyclohexane, bromo,1-bromocyclohexane,unii-ya0ums4rny,bromo-cyclohexane,ya0ums4rny,cyclohexylbromide,bromocylcohexane,bromocyclohexane,ksc178g7n PubChem CID: 7960 IUPAC Name: bromocyclohexane SMILES: BrC1CCCCC1

PubChem CID 7960
CAS 108-85-0
Molecular Weight (g/mol) 163.06
MDL Number MFCD00003819
SMILES BrC1CCCCC1
Synonym cyclohexyl bromide,cyclohexane, bromo,1-bromocyclohexane,unii-ya0ums4rny,bromo-cyclohexane,ya0ums4rny,cyclohexylbromide,bromocylcohexane,bromocyclohexane,ksc178g7n
IUPAC Name bromocyclohexane
InChI Key AQNQQHJNRPDOQV-UHFFFAOYSA-N
Molecular Formula C6H11Br
6

(1-Chlorocyclohexyl)cyclohexyl-methanone, TRC

CAS: 83803-75-2 Molecular Formula: C13H21ClO Molecular Weight (g/mol): 228.76 Synonym: Ketone 1-Chlorocyclohexyl Cyclohexyl,(1-Chlorocyclohexyl)cyclohexylmethanone IUPAC Name: (1-chlorocyclohexyl)-cyclohexylmethanone SMILES: O=C(C1CCCCC1)C2(Cl)CCCCC2

CAS 83803-75-2
Molecular Weight (g/mol) 228.76
SMILES O=C(C1CCCCC1)C2(Cl)CCCCC2
Synonym Ketone 1-Chlorocyclohexyl Cyclohexyl,(1-Chlorocyclohexyl)cyclohexylmethanone
IUPAC Name (1-chlorocyclohexyl)-cyclohexylmethanone
Molecular Formula C13H21ClO
7

Didesethyl Chloroquine, TRC

CAS: 4298-14-0 Molecular Formula: C14 H18 Cl N3 Molecular Weight (g/mol): 263.77 IUPAC Name: 4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine SMILES: CC(CCCN)Nc1ccnc2cc(Cl)ccc12

CAS 4298-14-0
Molecular Weight (g/mol) 263.77
SMILES CC(CCCN)Nc1ccnc2cc(Cl)ccc12
IUPAC Name 4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine
Molecular Formula C14 H18 Cl N3
8

Cyclohexyl Bromide, 99%

CAS: 108-85-0 Molecular Formula: C6H11Br Molecular Weight (g/mol): 163.06 MDL Number: MFCD00003819 InChI Key: AQNQQHJNRPDOQV-UHFFFAOYSA-N Synonym: cyclohexyl bromide,cyclohexane, bromo,1-bromocyclohexane,unii-ya0ums4rny,bromo-cyclohexane,ya0ums4rny,cyclohexylbromide,bromocylcohexane,bromocyclohexane,ksc178g7n PubChem CID: 7960 IUPAC Name: bromocyclohexane SMILES: BrC1CCCCC1

PubChem CID 7960
CAS 108-85-0
Molecular Weight (g/mol) 163.06
MDL Number MFCD00003819
SMILES BrC1CCCCC1
Synonym cyclohexyl bromide,cyclohexane, bromo,1-bromocyclohexane,unii-ya0ums4rny,bromo-cyclohexane,ya0ums4rny,cyclohexylbromide,bromocylcohexane,bromocyclohexane,ksc178g7n
IUPAC Name bromocyclohexane
InChI Key AQNQQHJNRPDOQV-UHFFFAOYSA-N
Molecular Formula C6H11Br
9

Lindane, TRC

CAS: 58-89-9 Molecular Formula: C6 H6 Cl6 Molecular Weight (g/mol): 290.83 Synonym: (1α,2α,3β,4α,5α,6β)-1,2,3,4,5,6-Hexachlorocyclohexane,1,2,3,4,5,6-Hexachlorocyclohexane,666,Aalindan,Aficide,Agrocide,Agrocide III,Agrocide WP,Ameisenmittel Merck,Aparasin,Aphtiria,Aplidal,Arbitex,Arcotal S,BBH,BHC,BHC (insecticide),Ben-Hex,Benhexol,Bentox 10,Benzene hexachloride,Bercema-Spritz-Lindan 50,Bexol,Celanex,Chloresene,Codechine,DBH,Detmol Extract,Devoran,Dol Granule,Drilltox-Spezial Aglukon,ENT 7,796,Entomoxan,Esoderm,Fenoform forte,Forst-Nexen,Gamacid,Gamacide,Gamacide 20,Gamene,Gamma benzene hexachloride,Gamma-HCH,Gammalin,Gammalin 20,Gammaterr,Gammaxene,Gammexane,Gamoline,Geobilan,Geolin G 3,Gexane,HCC,HCCH,HCH,HGI,Heclotox,Hexa,Hexachloran,Hexachlorane,Hexachlorocyclohexane,Hexatin,Hexaverm,Hexicide,Hexyclan,Hilbeech,Hortex,Hungaria L 7,Inexit,Jacutin,Kanodane,Kokotine,Kwell,Lasochron,Lendine,Lentox,Lidenal,Lindafor,Lindane,Lindatox,Lindex,Lindosep,Lintox,Lintox 3,Linvur,Lorexane,Mglawik L,Milbol 49,Mszycol,Neo-Scabicidol,Nexen FB,Nexit,Nexit Stark,Nexol E,Nicochloran,Omnitox,Ovadziak,Owadziak,PLK,Pedraczak,Pflanzol,Prodactif,Quellada,Sang-gamma,Scabecid,Scabene,Spritz-Rapidin,Spritzlindane,Spruehpflanzol,Streunex,TAP 85,Tri-6,Verindal Ultra,Viton,γ-1,2,3,4,5,6-Hexachlorocyclohexane,γ-666,γ-BHC,γ-Benzene hexachloride,γ-Benzohexachloride,γ-HCH,γ-Hexachloran,γ-Hexachlorane,γ-Hexachlorobenzene,γ-Hexachlorocyclohexane,γ-Lindane IUPAC Name: 1,2,3,4,5,6-hexachlorocyclohexane SMILES: Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl

CAS 58-89-9
Molecular Weight (g/mol) 290.83
SMILES Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
Synonym (1α,2α,3β,4α,5α,6β)-1,2,3,4,5,6-Hexachlorocyclohexane,1,2,3,4,5,6-Hexachlorocyclohexane,666,Aalindan,Aficide,Agrocide,Agrocide III,Agrocide WP,Ameisenmittel Merck,Aparasin,Aphtiria,Aplidal,Arbitex,Arcotal S,BBH,BHC,BHC (insecticide),Ben-Hex,Benhexol,Bentox 10,Benzene hexachloride,Bercema-Spritz-Lindan 50,Bexol,Celanex,Chloresene,Codechine,DBH,Detmol Extract,Devoran,Dol Granule,Drilltox-Spezial Aglukon,ENT 7,796,Entomoxan,Esoderm,Fenoform forte,Forst-Nexen,Gamacid,Gamacide,Gamacide 20,Gamene,Gamma benzene hexachloride,Gamma-HCH,Gammalin,Gammalin 20,Gammaterr,Gammaxene,Gammexane,Gamoline,Geobilan,Geolin G 3,Gexane,HCC,HCCH,HCH,HGI,Heclotox,Hexa,Hexachloran,Hexachlorane,Hexachlorocyclohexane,Hexatin,Hexaverm,Hexicide,Hexyclan,Hilbeech,Hortex,Hungaria L 7,Inexit,Jacutin,Kanodane,Kokotine,Kwell,Lasochron,Lendine,Lentox,Lidenal,Lindafor,Lindane,Lindatox,Lindex,Lindosep,Lintox,Lintox 3,Linvur,Lorexane,Mglawik L,Milbol 49,Mszycol,Neo-Scabicidol,Nexen FB,Nexit,Nexit Stark,Nexol E,Nicochloran,Omnitox,Ovadziak,Owadziak,PLK,Pedraczak,Pflanzol,Prodactif,Quellada,Sang-gamma,Scabecid,Scabene,Spritz-Rapidin,Spritzlindane,Spruehpflanzol,Streunex,TAP 85,Tri-6,Verindal Ultra,Viton,γ-1,2,3,4,5,6-Hexachlorocyclohexane,γ-666,γ-BHC,γ-Benzene hexachloride,γ-Benzohexachloride,γ-HCH,γ-Hexachloran,γ-Hexachlorane,γ-Hexachlorobenzene,γ-Hexachlorocyclohexane,γ-Lindane
IUPAC Name 1,2,3,4,5,6-hexachlorocyclohexane
Molecular Formula C6 H6 Cl6
10

1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane, TRC

CAS: 3322-93-8 Molecular Formula: C8 H12 Br4 Molecular Weight (g/mol): 427.8 Synonym: 1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane,1-(1,2-Dibromoethyl)-3,4-dibromocyclohexane,4-(1,2-Dibromoethyl)-1,2-dibromocyclohexane,Citex BCL 462,Saytex BCL 462 IUPAC Name: 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane SMILES: BrCC(Br)C1CCC(Br)C(Br)C1

CAS 3322-93-8
Molecular Weight (g/mol) 427.8
SMILES BrCC(Br)C1CCC(Br)C(Br)C1
Synonym 1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane,1-(1,2-Dibromoethyl)-3,4-dibromocyclohexane,4-(1,2-Dibromoethyl)-1,2-dibromocyclohexane,Citex BCL 462,Saytex BCL 462
IUPAC Name 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane
Molecular Formula C8 H12 Br4
11

Perfluoro(butylcyclohexane), TRC

CAS: 374-60-7 Molecular Formula: C10F20 Molecular Weight (g/mol): 500.08 Synonym: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-Cyclohexane,undecafluoro(nonafluorobutyl)-Cyclohexane,1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexane IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexane SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

CAS 374-60-7
Molecular Weight (g/mol) 500.08
SMILES FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
Synonym 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-Cyclohexane,undecafluoro(nonafluorobutyl)-Cyclohexane,1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexane
IUPAC Name 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexane
Molecular Formula C10F20
12

4,4-Difluoro-N-[(1S)-3-hydroxy-1-phenylpropyl]-cyclohexanecarboxamide, TRC

CAS: 376348-77-5 Molecular Formula: C16 H21 F2 N O2 Molecular Weight (g/mol): 297.34 Synonym: Cyclohexanecarboxamide, 4,4-difluoro-N-[(1S)-3-hydroxy-1-phenylpropyl]-,4,4-Difluoro-N-[(1S)-3-hydroxy-1-phenylpropyl]cyclohexanecarboxamide,(S)-4,4-Difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexanecarboxamide,4,4-Difluoro-N-((1S)-3-hydroxy-1-phenylpropyl)cyclohexanecarboxamide,UK 453465,Maraviroc related,UK-453,465 IUPAC Name: 4,4-difluoro-N-[(1S)-3-hydroxy-1-phenyl-propyl]cyclohexanecarboxamide SMILES: OCC[C@H](NC(=O)C1CCC(F)(F)CC1)c2ccccc2

CAS 376348-77-5
Molecular Weight (g/mol) 297.34
SMILES OCC[C@H](NC(=O)C1CCC(F)(F)CC1)c2ccccc2
Synonym Cyclohexanecarboxamide, 4,4-difluoro-N-[(1S)-3-hydroxy-1-phenylpropyl]-,4,4-Difluoro-N-[(1S)-3-hydroxy-1-phenylpropyl]cyclohexanecarboxamide,(S)-4,4-Difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexanecarboxamide,4,4-Difluoro-N-((1S)-3-hydroxy-1-phenylpropyl)cyclohexanecarboxamide,UK 453465,Maraviroc related,UK-453,465
IUPAC Name 4,4-difluoro-N-[(1S)-3-hydroxy-1-phenyl-propyl]cyclohexanecarboxamide
Molecular Formula C16 H21 F2 N O2
13

trans-1,2-Dibromocyclohexane, 99%, Thermo Scientific™

CAS: 7429-37-0 Molecular Formula: C6H10Br2 Molecular Weight (g/mol): 241.95 MDL Number: MFCD00003820 InChI Key: CZNHKZKWKJNOTE-PHDIDXHHSA-N Synonym: trans-1,2-dibromocyclohexane,1r,2r-1,2-dibromocyclohexane,+/--trans-1,2-dibromocyclohexane,cyclohexane,1,2-dibromo-,trans,trans-1,2-dibromcyclohexan,1beta,2alpha-dibromocyclohexane,cyclohexane,2-dibromo-, trans,1r,2r-1,2-bis bromanyl cyclohexane PubChem CID: 98506 IUPAC Name: (1R,2R)-1,2-dibromocyclohexane SMILES: Br[C@@H]1CCCC[C@H]1Br

PubChem CID 98506
CAS 7429-37-0
Molecular Weight (g/mol) 241.95
MDL Number MFCD00003820
SMILES Br[C@@H]1CCCC[C@H]1Br
Synonym trans-1,2-dibromocyclohexane,1r,2r-1,2-dibromocyclohexane,+/--trans-1,2-dibromocyclohexane,cyclohexane,1,2-dibromo-,trans,trans-1,2-dibromcyclohexan,1beta,2alpha-dibromocyclohexane,cyclohexane,2-dibromo-, trans,1r,2r-1,2-bis bromanyl cyclohexane
IUPAC Name (1R,2R)-1,2-dibromocyclohexane
InChI Key CZNHKZKWKJNOTE-PHDIDXHHSA-N
Molecular Formula C6H10Br2
14

trans-1,2-Dibromocyclohexane, 99%, Thermo Scientific Chemicals

CAS: 7429-37-0 Molecular Formula: C6H10Br2 Molecular Weight (g/mol): 241.95 MDL Number: MFCD00003820 InChI Key: CZNHKZKWKJNOTE-PHDIDXHHSA-N Synonym: trans-1,2-dibromocyclohexane,1r,2r-1,2-dibromocyclohexane,+/--trans-1,2-dibromocyclohexane,cyclohexane,1,2-dibromo-,trans,trans-1,2-dibromcyclohexan,1beta,2alpha-dibromocyclohexane,cyclohexane,2-dibromo-, trans,1r,2r-1,2-bis bromanyl cyclohexane PubChem CID: 98506 IUPAC Name: (1R,2R)-1,2-dibromocyclohexane SMILES: Br[C@@H]1CCCC[C@H]1Br

PubChem CID 98506
CAS 7429-37-0
Molecular Weight (g/mol) 241.95
MDL Number MFCD00003820
SMILES Br[C@@H]1CCCC[C@H]1Br
Synonym trans-1,2-dibromocyclohexane,1r,2r-1,2-dibromocyclohexane,+/--trans-1,2-dibromocyclohexane,cyclohexane,1,2-dibromo-,trans,trans-1,2-dibromcyclohexan,1beta,2alpha-dibromocyclohexane,cyclohexane,2-dibromo-, trans,1r,2r-1,2-bis bromanyl cyclohexane
IUPAC Name (1R,2R)-1,2-dibromocyclohexane
InChI Key CZNHKZKWKJNOTE-PHDIDXHHSA-N
Molecular Formula C6H10Br2