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Cyclopropanecarboxylic acids and derivatives

Organic compounds that contain a carboxylic acid and a cyclopropane group; a cyclopropane group is a three-carbon ring. Includes compounds that are derived from cyclopropanecarboxylic acids.

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1

trans-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid, TRC

CAS: 72748-68-6 Molecular Formula: C9 H10 Cl F3 O2 Molecular Weight (g/mol): 242.623 Synonym: (1R,3S)-rel-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid,trans-(±)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid; IUPAC Name: (1R,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid SMILES: CC1(C)[C@H](\C=C(/Cl)\C(F)(F)F)[C@H]1C(=O)O

CAS 72748-68-6
Molecular Weight (g/mol) 242.623
SMILES CC1(C)[C@H](\C=C(/Cl)\C(F)(F)F)[C@H]1C(=O)O
Synonym (1R,3S)-rel-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid,trans-(±)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid;
IUPAC Name (1R,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
Molecular Formula C9 H10 Cl F3 O2
2

cis-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid, TRC

CAS: 72748-35-7 Molecular Formula: C9 H10 Cl F3 O2 Molecular Weight (g/mol): 242.62 Synonym: Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (1R,3R)-rel- (9CI),Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cis-,rel-(1R,3R)-3-(2-Chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylic acid IUPAC Name: (1R,3R)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid SMILES: CC1(C)[C@@H](C=C(Cl)C(F)(F)F)[C@H]1C(=O)O

CAS 72748-35-7
Molecular Weight (g/mol) 242.62
SMILES CC1(C)[C@@H](C=C(Cl)C(F)(F)F)[C@H]1C(=O)O
Synonym Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (1R,3R)-rel- (9CI),Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cis-,rel-(1R,3R)-3-(2-Chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylic acid
IUPAC Name (1R,3R)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Molecular Formula C9 H10 Cl F3 O2
3

trans-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid, TRC

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4

3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl Chloride, TRC

CAS: 52314-67-7 Molecular Formula: C8H9Cl3O Molecular Weight (g/mol): 227.52 Synonym: 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl Chloride,2,2-Dimethyl-3-(2,2-dichloroethenyl)cyclopropanecarbonyl Chloride,2,2-Dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarbonyl Chloride,3-(2,2-Dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarbonyl Chloride IUPAC Name: 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride SMILES: CC1(C)C(C=C(Cl)Cl)C1C(=O)Cl

CAS 52314-67-7
Molecular Weight (g/mol) 227.52
SMILES CC1(C)C(C=C(Cl)Cl)C1C(=O)Cl
Synonym 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl Chloride,2,2-Dimethyl-3-(2,2-dichloroethenyl)cyclopropanecarbonyl Chloride,2,2-Dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarbonyl Chloride,3-(2,2-Dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarbonyl Chloride
IUPAC Name 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
Molecular Formula C8H9Cl3O
5

(1R)-2,2-Dimethylcyclopropanecarboxamide, TRC

CAS: 106462-18-4 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 Synonym: Cyclopropanecarboxamide, 2,2-dimethyl-, (1R)-,Cyclopropanecarboxamide, 2,2-dimethyl-, (R)-,(-)-2,2-Dimethylcyclopropanecarboxamide,(R)-(-)-2,2-Dimethylcyclopropane-1-carboxamide,(R)-2,2-Dimethylcyclopropanecarboxamide SMILES: CC1(C)C[C@H]1C(=O)N

CAS 106462-18-4
Molecular Weight (g/mol) 113.16
SMILES CC1(C)C[C@H]1C(=O)N
Synonym Cyclopropanecarboxamide, 2,2-dimethyl-, (1R)-,Cyclopropanecarboxamide, 2,2-dimethyl-, (R)-,(-)-2,2-Dimethylcyclopropanecarboxamide,(R)-(-)-2,2-Dimethylcyclopropane-1-carboxamide,(R)-2,2-Dimethylcyclopropanecarboxamide
Molecular Formula C6H11NO
6

Diethyl trans-1,2-cyclopropanedicarboxylate, 97%

CAS: 3999-55-1 Molecular Formula: C9H14O4 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00198002 InChI Key: SXLDHZFJMXLFJU-RNFRBKRXSA-N Synonym: diethyl trans-1,2-cyclopropanedicarboxylate,trans-diethyl cyclopropane-1,2-dicarboxylate,diethyl trans-cyclopropane-1,2-dicarboxylate,1r,2r-diethyl cyclopropane-1,2-dicarboxylate,diethyl 1r,2r-cyclopropane-1,2-dicarboxylate,1,2-cyclopropanedicarboxylic acid, diethyl ester, 1r,2r-rel,1,2-cyclopropanedicarboxylicacid, 1,3-diethyl ester, 1r,2r-rel,1s,2s-diethyl cyclopropane-1,2-dicarboxylate,diethyltrans-cyclopropane-1,2-dicarboxylate,trans-1,2-diethoxycarbonyl-cyclopropane PubChem CID: 11715303 IUPAC Name: diethyl (1R,2R)-cyclopropane-1,2-dicarboxylate SMILES: CCOC(=O)C1CC1C(=O)OCC

PubChem CID 11715303
CAS 3999-55-1
Molecular Weight (g/mol) 186.21
MDL Number MFCD00198002
SMILES CCOC(=O)C1CC1C(=O)OCC
Synonym diethyl trans-1,2-cyclopropanedicarboxylate,trans-diethyl cyclopropane-1,2-dicarboxylate,diethyl trans-cyclopropane-1,2-dicarboxylate,1r,2r-diethyl cyclopropane-1,2-dicarboxylate,diethyl 1r,2r-cyclopropane-1,2-dicarboxylate,1,2-cyclopropanedicarboxylic acid, diethyl ester, 1r,2r-rel,1,2-cyclopropanedicarboxylicacid, 1,3-diethyl ester, 1r,2r-rel,1s,2s-diethyl cyclopropane-1,2-dicarboxylate,diethyltrans-cyclopropane-1,2-dicarboxylate,trans-1,2-diethoxycarbonyl-cyclopropane
IUPAC Name diethyl (1R,2R)-cyclopropane-1,2-dicarboxylate
InChI Key SXLDHZFJMXLFJU-RNFRBKRXSA-N
Molecular Formula C9H14O4
7

2,2,3,3-Tetramethylcyclopropanecarbonyl Chloride (>90%), TRC

CAS: 24303-61-5 Molecular Formula: C8H13ClO Molecular Weight (g/mol): 160.64 IUPAC Name: 2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride SMILES: CC1(C)C(C(=O)Cl)C1(C)C

CAS 24303-61-5
Molecular Weight (g/mol) 160.64
SMILES CC1(C)C(C(=O)Cl)C1(C)C
IUPAC Name 2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride
Molecular Formula C8H13ClO
8

Methyl cyclopropanecarboxylate, 98%

CAS: 2868-37-3 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00001280 InChI Key: PKAHQJNJPDVTDP-UHFFFAOYSA-N Synonym: methyl cyclopropane carboxylate,cyclopropanecarboxylic acid, methyl ester,methylcyclopropanecarboxylate,cyclopropanecarboxylic acid methyl ester,methyl cyclopropylcarboxylate,unii-5uq53f585u,mcpc,pubchem11835,ksc490a7l,1-methylcyclopropanecarboxylate PubChem CID: 76122 IUPAC Name: methyl cyclopropanecarboxylate SMILES: COC(=O)C1CC1

PubChem CID 76122
CAS 2868-37-3
Molecular Weight (g/mol) 100.12
MDL Number MFCD00001280
SMILES COC(=O)C1CC1
Synonym methyl cyclopropane carboxylate,cyclopropanecarboxylic acid, methyl ester,methylcyclopropanecarboxylate,cyclopropanecarboxylic acid methyl ester,methyl cyclopropylcarboxylate,unii-5uq53f585u,mcpc,pubchem11835,ksc490a7l,1-methylcyclopropanecarboxylate
IUPAC Name methyl cyclopropanecarboxylate
InChI Key PKAHQJNJPDVTDP-UHFFFAOYSA-N
Molecular Formula C5H8O2
9

Ethyl 1-hydroxycyclopropanecarboxylate, 90%

CAS: 137682-89-4 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD01863257 InChI Key: DPMGQZGXWRHYPE-UHFFFAOYSA-N Synonym: ethyl 1-hydroxycyclopropanecarboxylate,1-hydroxycyclopropanecarboxylic acid ethyl ester,cyclopropanecarboxylic acid, 1-hydroxy-, ethyl ester,1-ethoxycarbonyl cyclopropan-1-ol,ethyl-1-hydroxycyclopropane carboxylate,1-hydroxy-cyclopropanecarboxylic acid ethyl ester PubChem CID: 2733706 IUPAC Name: ethyl 1-hydroxycyclopropane-1-carboxylate SMILES: CCOC(=O)C1(O)CC1

PubChem CID 2733706
CAS 137682-89-4
Molecular Weight (g/mol) 130.14
MDL Number MFCD01863257
SMILES CCOC(=O)C1(O)CC1
Synonym ethyl 1-hydroxycyclopropanecarboxylate,1-hydroxycyclopropanecarboxylic acid ethyl ester,cyclopropanecarboxylic acid, 1-hydroxy-, ethyl ester,1-ethoxycarbonyl cyclopropan-1-ol,ethyl-1-hydroxycyclopropane carboxylate,1-hydroxy-cyclopropanecarboxylic acid ethyl ester
IUPAC Name ethyl 1-hydroxycyclopropane-1-carboxylate
InChI Key DPMGQZGXWRHYPE-UHFFFAOYSA-N
Molecular Formula C6H10O3
10

(±)-Cyhalothric Acid, TRC

CAS: 68127-59-3 Molecular Formula: C9 H10 Cl F3 O2 Molecular Weight (g/mol): 242.6227 Synonym: Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, [1α,3α(Z)]-(±)-,Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R,3R)-rel- (9CI),rel-(1R,3R)-3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid,(±)-Cyhalothric acid,3-((Z)-2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid,3-[(Z)-2-Chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid,cis-3-[(Z)-2-Chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid,cis-Cyhalothric acid IUPAC Name: (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid SMILES: CC1(C)[C@@H](\C=C(/Cl)\C(F)(F)F)[C@H]1C(=O)O

CAS 68127-59-3
Molecular Weight (g/mol) 242.6227
SMILES CC1(C)[C@@H](\C=C(/Cl)\C(F)(F)F)[C@H]1C(=O)O
Synonym Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, [1α,3α(Z)]-(±)-,Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R,3R)-rel- (9CI),rel-(1R,3R)-3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic acid,(±)-Cyhalothric acid,3-((Z)-2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid,3-[(Z)-2-Chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid,cis-3-[(Z)-2-Chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid,cis-Cyhalothric acid
IUPAC Name (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
Molecular Formula C9 H10 Cl F3 O2
11

Cypermethrin, 96%

CAS: 52315-07-8 Molecular Formula: C22H19Cl2NO3 Molecular Weight (g/mol): 416.3 InChI Key: KAATUXNTWXVJKI-UHFFFAOYSA-N Synonym: cypermethrin,barricade,ripcord,ustaad,ammo,supercypermethrin,cymbush,alpha-cypermethrin,cypermethrine,agrothrin PubChem CID: 2912 ChEBI: CHEBI:4042 IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C

PubChem CID 2912
CAS 52315-07-8
Molecular Weight (g/mol) 416.3
ChEBI CHEBI:4042
SMILES CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
Synonym cypermethrin,barricade,ripcord,ustaad,ammo,supercypermethrin,cymbush,alpha-cypermethrin,cypermethrine,agrothrin
IUPAC Name [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
InChI Key KAATUXNTWXVJKI-UHFFFAOYSA-N
Molecular Formula C22H19Cl2NO3
12

(1R-cis)-Cyhalothric Acid, TRC

CAS: 76023-99-9 Molecular Formula: C9 H10 Cl F3 O2 Molecular Weight (g/mol): 242.62 Synonym: Bifenthrin free acid metabolite,(1R,3R)cyclopropanecarboxylic acid, -3-[(1Z)2-Chloro-3,3,3-trifluoropropen-1-yl]-2,2-dimethyl,Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, [1R-[1α,3α(Z)]]-,Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R,3R)- (9CI),(1R)-cis-3-[(Z)-2-Chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethylcyclopropanecarboxylic acid,(1R-cis)-Cyhalothric acid IUPAC Name: (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid SMILES: CC1(C)[C@@H](\C=C(/Cl)\C(F)(F)F)[C@H]1C(=O)O

CAS 76023-99-9
Molecular Weight (g/mol) 242.62
SMILES CC1(C)[C@@H](\C=C(/Cl)\C(F)(F)F)[C@H]1C(=O)O
Synonym Bifenthrin free acid metabolite,(1R,3R)cyclopropanecarboxylic acid, -3-[(1Z)2-Chloro-3,3,3-trifluoropropen-1-yl]-2,2-dimethyl,Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, [1R-[1α,3α(Z)]]-,Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R,3R)- (9CI),(1R)-cis-3-[(Z)-2-Chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethylcyclopropanecarboxylic acid,(1R-cis)-Cyhalothric acid
IUPAC Name (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
Molecular Formula C9 H10 Cl F3 O2
13

Bicyclo[4.1.0]heptane-7-carboxylic Acid, TRC

CAS: 41894-76-2 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.17 Synonym: NSC 156902 IUPAC Name: bicyclo[4.1.0]heptane-7-carboxylic acid SMILES: OC(=O)C1C2CCCCC12

CAS 41894-76-2
Molecular Weight (g/mol) 140.17
SMILES OC(=O)C1C2CCCCC12
Synonym NSC 156902
IUPAC Name bicyclo[4.1.0]heptane-7-carboxylic acid
Molecular Formula C8H12O2
14

ethyle1-methylcyclopropane-1-carboxylate, 97%, Thermo Scientific™

CAS: 71441-76-4 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00001284 InChI Key: IZPYNZLFBUQGCZ-UHFFFAOYSA-N PubChem CID: 544234 IUPAC Name: ethyl 1-methylcyclopropane-1-carboxylate SMILES: CCOC(=O)C1(CC1)C

PubChem CID 544234
CAS 71441-76-4
Molecular Weight (g/mol) 128.171
MDL Number MFCD00001284
SMILES CCOC(=O)C1(CC1)C
IUPAC Name ethyl 1-methylcyclopropane-1-carboxylate
InChI Key IZPYNZLFBUQGCZ-UHFFFAOYSA-N
Molecular Formula C7H12O2
15

3-(2,2-Dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid Anhydride (Mixture of Diastereomers), TRC

CAS: 56860-12-9 Molecular Formula: C16 H18 Cl4 O3 Molecular Weight (g/mol): 400.12 Synonym: Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, anhydride (9CI),3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic anhydride,3-(2,2-Dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylic acid anhydride,2-(2,2-Dichloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic anhydride,Permethrin Imp. H (EP) IUPAC Name: [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate SMILES: CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(=O)C2C(C=C(Cl)Cl)C2(C)C

CAS 56860-12-9
Molecular Weight (g/mol) 400.12
SMILES CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(=O)C2C(C=C(Cl)Cl)C2(C)C
Synonym Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, anhydride (9CI),3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic anhydride,3-(2,2-Dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylic acid anhydride,2-(2,2-Dichloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic anhydride,Permethrin Imp. H (EP)
IUPAC Name [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular Formula C16 H18 Cl4 O3