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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
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1 – 15 of 2,202 results
1

Methylene di-p-phenyl diisocyanate, 98%, flakes

CAS: 101-68-8 Molecular Formula: C15H10N2O2 Molecular Weight (g/mol): 250.26 MDL Number: MFCD00036131 InChI Key: UPMLOUAZCHDJJD-UHFFFAOYSA-N Synonym: 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate PubChem CID: 7570 ChEBI: CHEBI:53218 IUPAC Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O

EDGE
PubChem CID 7570
CAS 101-68-8
Molecular Weight (g/mol) 250.26
ChEBI CHEBI:53218
MDL Number MFCD00036131
SMILES C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
Synonym 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate
IUPAC Name 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
InChI Key UPMLOUAZCHDJJD-UHFFFAOYSA-N
Molecular Formula C15H10N2O2
2

4-(tert-Butyl)phenyl isocyanate, 97%, Thermo Scientific™

CAS: 1943-67-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00040718 InChI Key: WUWBDQJTQTVBSQ-UHFFFAOYSA-N Synonym: 4-tert-butylphenyl isocyanate,4-tert-butylphenylisocyanate,benzene, 1-1,1-dimethylethyl-4-isocyanato,4-tert-butylphenyl-isocyanate,4-tert-butyl phenyl isocyanate,1-tert-butyl-4-isocyanato-benzene,benzene,1-1,1-dimethylethyl-4-isocyanato,4-t-butylphenylisocyanate,acmc-209ey5,4-tertbutylphenyl isocyanate PubChem CID: 2735695 IUPAC Name: 1-tert-butyl-4-isocyanatobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=O

EDGE
PubChem CID 2735695
CAS 1943-67-5
Molecular Weight (g/mol) 175.231
MDL Number MFCD00040718
SMILES CC(C)(C)C1=CC=C(C=C1)N=C=O
Synonym 4-tert-butylphenyl isocyanate,4-tert-butylphenylisocyanate,benzene, 1-1,1-dimethylethyl-4-isocyanato,4-tert-butylphenyl-isocyanate,4-tert-butyl phenyl isocyanate,1-tert-butyl-4-isocyanato-benzene,benzene,1-1,1-dimethylethyl-4-isocyanato,4-t-butylphenylisocyanate,acmc-209ey5,4-tertbutylphenyl isocyanate
IUPAC Name 1-tert-butyl-4-isocyanatobenzene
InChI Key WUWBDQJTQTVBSQ-UHFFFAOYSA-N
Molecular Formula C11H13NO
3

Phenyl ether, 99%

CAS: 101-84-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00003034 InChI Key: USIUVYZYUHIAEV-UHFFFAOYSA-N Synonym: diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl PubChem CID: 7583 ChEBI: CHEBI:39258 IUPAC Name: phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2

PubChem CID 7583
CAS 101-84-8
Molecular Weight (g/mol) 170.21
ChEBI CHEBI:39258
MDL Number MFCD00003034
SMILES C1=CC=C(C=C1)OC2=CC=CC=C2
Synonym diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl
IUPAC Name phenoxybenzene
InChI Key USIUVYZYUHIAEV-UHFFFAOYSA-N
Molecular Formula C12H10O
4

Phenyl chloroformate, 99%

CAS: 1885-14-9 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00000637 InChI Key: AHWALFGBDFAJAI-UHFFFAOYSA-N Synonym: phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y PubChem CID: 15891 IUPAC Name: phenyl carbonochloridate SMILES: ClC(=O)OC1=CC=CC=C1

PubChem CID 15891
CAS 1885-14-9
Molecular Weight (g/mol) 156.57
MDL Number MFCD00000637
SMILES ClC(=O)OC1=CC=CC=C1
Synonym phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y
IUPAC Name phenyl carbonochloridate
InChI Key AHWALFGBDFAJAI-UHFFFAOYSA-N
Molecular Formula C7H5ClO2
5

Phenyl phosphorodichloridate, 97%

CAS: 770-12-7 Molecular Formula: C6H5Cl2O2P Molecular Weight (g/mol): 210.978 MDL Number: MFCD00002067 InChI Key: TXFOLHZMICYNRM-UHFFFAOYSA-N Synonym: phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester PubChem CID: 13038 IUPAC Name: dichlorophosphoryloxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(Cl)Cl

PubChem CID 13038
CAS 770-12-7
Molecular Weight (g/mol) 210.978
MDL Number MFCD00002067
SMILES C1=CC=C(C=C1)OP(=O)(Cl)Cl
Synonym phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester
IUPAC Name dichlorophosphoryloxybenzene
InChI Key TXFOLHZMICYNRM-UHFFFAOYSA-N
Molecular Formula C6H5Cl2O2P
6

Phenyl sulfone, 97%

CAS: 127-63-9 Molecular Formula: C12H10O2S Molecular Weight (g/mol): 218.27 MDL Number: MFCD00007548 InChI Key: KZTYYGOKRVBIMI-UHFFFAOYSA-N Synonym: diphenyl sulfone,phenyl sulfone,sulfonyldibenzene,diphenylsulfone,sulfobenzide,diphenyl sulphone,benzene, 1,1'-sulfonylbis,sulfone, diphenyl,1,1'-sulfonyldibenzene,phenyl sulphone PubChem CID: 31386 ChEBI: CHEBI:78360 SMILES: O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 31386
CAS 127-63-9
Molecular Weight (g/mol) 218.27
ChEBI CHEBI:78360
MDL Number MFCD00007548
SMILES O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym diphenyl sulfone,phenyl sulfone,sulfonyldibenzene,diphenylsulfone,sulfobenzide,diphenyl sulphone,benzene, 1,1'-sulfonylbis,sulfone, diphenyl,1,1'-sulfonyldibenzene,phenyl sulphone
InChI Key KZTYYGOKRVBIMI-UHFFFAOYSA-N
Molecular Formula C12H10O2S
7

Phenyl dichlorophosphate, 99%

CAS: 770-12-7 Molecular Formula: C6H5Cl2O2P Molecular Weight (g/mol): 210.98 MDL Number: MFCD00002067 InChI Key: TXFOLHZMICYNRM-UHFFFAOYSA-N Synonym: phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester PubChem CID: 13038 IUPAC Name: dichlorophosphoryloxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(Cl)Cl

PubChem CID 13038
CAS 770-12-7
Molecular Weight (g/mol) 210.98
MDL Number MFCD00002067
SMILES C1=CC=C(C=C1)OP(=O)(Cl)Cl
Synonym phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester
IUPAC Name dichlorophosphoryloxybenzene
InChI Key TXFOLHZMICYNRM-UHFFFAOYSA-N
Molecular Formula C6H5Cl2O2P
8

Phenyl chlorothionoformate, 98+%

CAS: 1005-56-7 Molecular Formula: C7H5ClOS Molecular Weight (g/mol): 172.63 MDL Number: MFCD00004920 InChI Key: KOSYAAIZOGNATQ-UHFFFAOYSA-N Synonym: o-phenyl carbonochloridothioate,phenyl chlorothionoformate,o-phenyl chlorothioformate,phenyl chlorothioformate,phenyl thioxochloroformate,phenyl chlorothionocarbonate,phenoxythiocarbonyl chloride,chlorothioformic acid phenyl ester,o-phenyl chlorothionoformate,o-phenyl chlorothiocarbonate PubChem CID: 70498 SMILES: ClC(=S)OC1=CC=CC=C1

PubChem CID 70498
CAS 1005-56-7
Molecular Weight (g/mol) 172.63
MDL Number MFCD00004920
SMILES ClC(=S)OC1=CC=CC=C1
Synonym o-phenyl carbonochloridothioate,phenyl chlorothionoformate,o-phenyl chlorothioformate,phenyl chlorothioformate,phenyl thioxochloroformate,phenyl chlorothionocarbonate,phenoxythiocarbonyl chloride,chlorothioformic acid phenyl ester,o-phenyl chlorothionoformate,o-phenyl chlorothiocarbonate
InChI Key KOSYAAIZOGNATQ-UHFFFAOYSA-N
Molecular Formula C7H5ClOS
9

Phenyl phosphorodiamidate, 97%

CAS: 7450-69-3 Molecular Formula: C6H9N2O2P Molecular Weight (g/mol): 172.124 MDL Number: MFCD00014767 InChI Key: AYRRNFHDJUXLEQ-UHFFFAOYSA-N Synonym: phenyl phosphorodiamidate,phenylphosphorodiamidate,phenyl diamidophosphate,phosphorodiamidic acid, phenyl ester,diaminophosphoryl oxy benzene,phenylphosphorodiamidat,phosphoric phenyl ester diamide,phenyl phosphordiamidate,phenyl diamidophosphate #,diaminophenoxyphosphino-1-one PubChem CID: 81954 IUPAC Name: diaminophosphoryloxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(N)N

PubChem CID 81954
CAS 7450-69-3
Molecular Weight (g/mol) 172.124
MDL Number MFCD00014767
SMILES C1=CC=C(C=C1)OP(=O)(N)N
Synonym phenyl phosphorodiamidate,phenylphosphorodiamidate,phenyl diamidophosphate,phosphorodiamidic acid, phenyl ester,diaminophosphoryl oxy benzene,phenylphosphorodiamidat,phosphoric phenyl ester diamide,phenyl phosphordiamidate,phenyl diamidophosphate #,diaminophenoxyphosphino-1-one
IUPAC Name diaminophosphoryloxybenzene
InChI Key AYRRNFHDJUXLEQ-UHFFFAOYSA-N
Molecular Formula C6H9N2O2P
10

Phenyl formate, 95%

CAS: 1864-94-4 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00014126 InChI Key: GEOWCLRLLWTHDN-UHFFFAOYSA-N Synonym: formic acid phenyl ester,formic acid, phenyl ester,phocho,formic acid, phenylester,acmc-1box2,phenyl formate gc PubChem CID: 74626 IUPAC Name: phenyl formate SMILES: C1=CC=C(C=C1)OC=O

PubChem CID 74626
CAS 1864-94-4
Molecular Weight (g/mol) 122.123
MDL Number MFCD00014126
SMILES C1=CC=C(C=C1)OC=O
Synonym formic acid phenyl ester,formic acid, phenyl ester,phocho,formic acid, phenylester,acmc-1box2,phenyl formate gc
IUPAC Name phenyl formate
InChI Key GEOWCLRLLWTHDN-UHFFFAOYSA-N
Molecular Formula C7H6O2
11

Methyl phenyl carbonate, 97%

CAS: 13509-27-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD04039782 InChI Key: XTBFPVLHGVYOQH-UHFFFAOYSA-N Synonym: carbonic acid, methyl phenyl ester,phenyl methyl carbonate,phenyl methoxyformate,acmc-20akf2,carbonic acid methyl phenyl PubChem CID: 139482 IUPAC Name: methyl phenyl carbonate SMILES: COC(=O)OC1=CC=CC=C1

PubChem CID 139482
CAS 13509-27-8
Molecular Weight (g/mol) 152.15
MDL Number MFCD04039782
SMILES COC(=O)OC1=CC=CC=C1
Synonym carbonic acid, methyl phenyl ester,phenyl methyl carbonate,phenyl methoxyformate,acmc-20akf2,carbonic acid methyl phenyl
IUPAC Name methyl phenyl carbonate
InChI Key XTBFPVLHGVYOQH-UHFFFAOYSA-N
Molecular Formula C8H8O3
12

Benzyl phenyl ether, 97%

CAS: 946-80-5 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.238 MDL Number: MFCD00020660 InChI Key: BOTNYLSAWDQNEX-UHFFFAOYSA-N Synonym: benzyl phenyl ether,benzyloxy benzene,phenyl benzyl ether,benzene, phenoxymethyl,ether, benzyl phenyl,benzylphenylether,benzyloxy-benzene,benzyloxybenzene,unii-bue863n0l8,.alpha.-phenylanisole PubChem CID: 70352 IUPAC Name: phenoxymethylbenzene SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2

PubChem CID 70352
CAS 946-80-5
Molecular Weight (g/mol) 184.238
MDL Number MFCD00020660
SMILES C1=CC=C(C=C1)COC2=CC=CC=C2
Synonym benzyl phenyl ether,benzyloxy benzene,phenyl benzyl ether,benzene, phenoxymethyl,ether, benzyl phenyl,benzylphenylether,benzyloxy-benzene,benzyloxybenzene,unii-bue863n0l8,.alpha.-phenylanisole
IUPAC Name phenoxymethylbenzene
InChI Key BOTNYLSAWDQNEX-UHFFFAOYSA-N
Molecular Formula C13H12O
13

Phenyl vinyl sulfone, 98%

CAS: 5535-48-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00007554 InChI Key: UJTPZISIAWDGFF-UHFFFAOYSA-N Synonym: phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon PubChem CID: 79664 IUPAC Name: ethenylsulfonylbenzene SMILES: C=CS(=O)(=O)C1=CC=CC=C1

PubChem CID 79664
CAS 5535-48-8
Molecular Weight (g/mol) 168.21
MDL Number MFCD00007554
SMILES C=CS(=O)(=O)C1=CC=CC=C1
Synonym phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon
IUPAC Name ethenylsulfonylbenzene
InChI Key UJTPZISIAWDGFF-UHFFFAOYSA-N
Molecular Formula C8H8O2S
14

Methallyl phenyl ether, 96%

CAS: 5820-22-4 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00008597 InChI Key: LECDNXOCIPRJNJ-UHFFFAOYSA-N Synonym: methallyl phenyl ether,2-methylallyloxy benzene,ether, 2-methylallyl phenyl,benzene, 2-methyl-2-propenyl oxy,2-methylallyl phenyl ether,2-methylprop-2-en-1-yl oxy benzene,2-methyl-2-propen-1-yl oxy benzene,phenyl-methallyl ether,acmc-1b20w PubChem CID: 79893 IUPAC Name: 2-methylprop-2-enoxybenzene SMILES: CC(=C)COC1=CC=CC=C1

PubChem CID 79893
CAS 5820-22-4
Molecular Weight (g/mol) 148.21
MDL Number MFCD00008597
SMILES CC(=C)COC1=CC=CC=C1
Synonym methallyl phenyl ether,2-methylallyloxy benzene,ether, 2-methylallyl phenyl,benzene, 2-methyl-2-propenyl oxy,2-methylallyl phenyl ether,2-methylprop-2-en-1-yl oxy benzene,2-methyl-2-propen-1-yl oxy benzene,phenyl-methallyl ether,acmc-1b20w
IUPAC Name 2-methylprop-2-enoxybenzene
InChI Key LECDNXOCIPRJNJ-UHFFFAOYSA-N
Molecular Formula C10H12O
15

Phenyl chlorothionocarbonate, 99%

CAS: 1005-56-7 Molecular Formula: C7H5ClOS Molecular Weight (g/mol): 172.63 MDL Number: MFCD00004920 InChI Key: KOSYAAIZOGNATQ-UHFFFAOYSA-N Synonym: o-phenyl carbonochloridothioate,phenyl chlorothionoformate,o-phenyl chlorothioformate,phenyl chlorothioformate,phenyl thioxochloroformate,phenyl chlorothionocarbonate,phenoxythiocarbonyl chloride,chlorothioformic acid phenyl ester,o-phenyl chlorothionoformate,o-phenyl chlorothiocarbonate PubChem CID: 70498 IUPAC Name: O-phenyl chloromethanethioate SMILES: ClC(=S)OC1=CC=CC=C1

PubChem CID 70498
CAS 1005-56-7
Molecular Weight (g/mol) 172.63
MDL Number MFCD00004920
SMILES ClC(=S)OC1=CC=CC=C1
Synonym o-phenyl carbonochloridothioate,phenyl chlorothionoformate,o-phenyl chlorothioformate,phenyl chlorothioformate,phenyl thioxochloroformate,phenyl chlorothionocarbonate,phenoxythiocarbonyl chloride,chlorothioformic acid phenyl ester,o-phenyl chlorothionoformate,o-phenyl chlorothiocarbonate
IUPAC Name O-phenyl chloromethanethioate
InChI Key KOSYAAIZOGNATQ-UHFFFAOYSA-N
Molecular Formula C7H5ClOS