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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6,511 – 6,525 of 57,364 results

6,511

4-tert-Butylbenzoic Acid 99.0+%, TCI America™

CAS: 98-73-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00002563 InChI Key: KDVYCTOWXSLNNI-UHFFFAOYSA-N Synonym: 4-tert-butyl benzoic acid,tbba,p-tert-butylbenzoic acid,benzoic acid, 4-1,1-dimethylethyl,4-t-butylbenzoic acid,benzoic acid, p-tert-butyl,4-tert-butyl-benzoic acid,p-t-butylbenzoic acid,4-tert-butylbenzoicacid,unii-43z7t3vn0r PubChem CID: 7403 ChEBI: CHEBI:34443 IUPAC Name: 4-tert-butylbenzoic acid SMILES: CC(C)(C)C1=CC=C(C=C1)C(O)=O

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Specifications

PubChem CID	7403
CAS	98-73-7
Molecular Weight (g/mol)	178.23
ChEBI	CHEBI:34443
MDL Number	MFCD00002563
SMILES	CC(C)(C)C1=CC=C(C=C1)C(O)=O
Synonym	4-tert-butyl benzoic acid,tbba,p-tert-butylbenzoic acid,benzoic acid, 4-1,1-dimethylethyl,4-t-butylbenzoic acid,benzoic acid, p-tert-butyl,4-tert-butyl-benzoic acid,p-t-butylbenzoic acid,4-tert-butylbenzoicacid,unii-43z7t3vn0r
IUPAC Name	4-tert-butylbenzoic acid
InChI Key	KDVYCTOWXSLNNI-UHFFFAOYSA-N
Molecular Formula	C11H14O2

6,512

beta-Bromostyrene (cis- and trans- mixture) 95.0+%, TCI America™

CAS: 103-64-0 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.048 MDL Number: MFCD00000185 InChI Key: YMOONIIMQBGTDU-VOTSOKGWSA-N Synonym: 2-bromovinyl benzene,beta-bromostyrene,styryl bromide,2-bromoethenyl benzene,bromostyrolene,1-bromo-2-phenylethene,bromostyrol,bromstyrole,hyacinth base,1-bromo-2-phenylethylene PubChem CID: 5314126 IUPAC Name: [(E)-2-bromoethenyl]benzene SMILES: C1=CC=C(C=C1)C=CBr

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Specifications

PubChem CID	5314126
CAS	103-64-0
Molecular Weight (g/mol)	183.048
MDL Number	MFCD00000185
SMILES	C1=CC=C(C=C1)C=CBr
Synonym	2-bromovinyl benzene,beta-bromostyrene,styryl bromide,2-bromoethenyl benzene,bromostyrolene,1-bromo-2-phenylethene,bromostyrol,bromstyrole,hyacinth base,1-bromo-2-phenylethylene
IUPAC Name	[(E)-2-bromoethenyl]benzene
InChI Key	YMOONIIMQBGTDU-VOTSOKGWSA-N
Molecular Formula	C8H7Br

6,513

3-Bromoanisole 98.0+%, TCI America™

CAS: 2398-37-0 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000081 InChI Key: PLDWAJLZAAHOGG-UHFFFAOYSA-N Synonym: 3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole PubChem CID: 16971 IUPAC Name: 1-bromo-3-methoxybenzene SMILES: COC1=CC=CC(Br)=C1

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Specifications

PubChem CID	16971
CAS	2398-37-0
Molecular Weight (g/mol)	187.04
MDL Number	MFCD00000081
SMILES	COC1=CC=CC(Br)=C1
Synonym	3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole
IUPAC Name	1-bromo-3-methoxybenzene
InChI Key	PLDWAJLZAAHOGG-UHFFFAOYSA-N
Molecular Formula	C7H7BrO

6,514

4-Bromofluorobenzene 98.0+%, TCI America™

CAS: 460-00-4 Molecular Formula: C6H4BrF Molecular Weight (g/mol): 175.00 MDL Number: MFCD00000342 InChI Key: AITNMTXHTIIIBB-UHFFFAOYSA-N Synonym: 4-bromofluorobenzene,p-bromofluorobenzene,p-fluorobromobenzene,4-fluorobromobenzene,benzene, 1-bromo-4-fluoro,4-fluorophenyl bromide,1-fluoro-4-bromobenzene,4-fluoro-1-bromobenzene,p-fluorophenyl bromide,bromo fluorobenzene PubChem CID: 9993 IUPAC Name: 1-bromo-4-fluorobenzene SMILES: FC1=CC=C(Br)C=C1

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Specifications

PubChem CID	9993
CAS	460-00-4
Molecular Weight (g/mol)	175.00
MDL Number	MFCD00000342
SMILES	FC1=CC=C(Br)C=C1
Synonym	4-bromofluorobenzene,p-bromofluorobenzene,p-fluorobromobenzene,4-fluorobromobenzene,benzene, 1-bromo-4-fluoro,4-fluorophenyl bromide,1-fluoro-4-bromobenzene,4-fluoro-1-bromobenzene,p-fluorophenyl bromide,bromo fluorobenzene
IUPAC Name	1-bromo-4-fluorobenzene
InChI Key	AITNMTXHTIIIBB-UHFFFAOYSA-N
Molecular Formula	C6H4BrF

6,515

4-Bromobenzylamine Hydrochloride 97.0+%, TCI America™

CAS: 26177-44-6 Molecular Formula: C7H9BrClN Molecular Weight (g/mol): 222.51 MDL Number: MFCD00012860 InChI Key: BVYUYDBWQMSOKM-UHFFFAOYSA-N Synonym: 4-bromobenzylamine hydrochloride,4-bromophenyl methanamine hydrochloride,4-bromobenzylamine hcl,4-bba x hcl,4-bromo-benzylamine hydrochloride,p-bromobenzylamine hydrochloride,benzenemethanamine, 4-bromo-, hydrochloride,pubchem3751,acmc-1cfrz,4-bromobenzylamine, hcl PubChem CID: 2724096 IUPAC Name: hydrogen 1-(4-bromophenyl)methanamine chloride SMILES: [H+].[Cl-].NCC1=CC=C(Br)C=C1

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Specifications

PubChem CID	2724096
CAS	26177-44-6
Molecular Weight (g/mol)	222.51
MDL Number	MFCD00012860
SMILES	[H+].[Cl-].NCC1=CC=C(Br)C=C1
Synonym	4-bromobenzylamine hydrochloride,4-bromophenyl methanamine hydrochloride,4-bromobenzylamine hcl,4-bba x hcl,4-bromo-benzylamine hydrochloride,p-bromobenzylamine hydrochloride,benzenemethanamine, 4-bromo-, hydrochloride,pubchem3751,acmc-1cfrz,4-bromobenzylamine, hcl
IUPAC Name	hydrogen 1-(4-bromophenyl)methanamine chloride
InChI Key	BVYUYDBWQMSOKM-UHFFFAOYSA-N
Molecular Formula	C7H9BrClN

6,516

Letrozole 98.0+%, TCI America™

CAS: 112809-51-5 Molecular Formula: C17H11N5 Molecular Weight (g/mol): 285.31 MDL Number: MFCD00866241 InChI Key: HPJKCIUCZWXJDR-UHFFFAOYSA-N Synonym: letrozole,femara,4,4'-1h-1,2,4-triazol-1-yl methylene dibenzonitrile,letrozol,letoval,letrazole,femera,letrozole usan:inn,unii-7lkk855w8i,4,4'-1h-1,2,4-triazol-1-ylmethanediyl dibenzonitrile PubChem CID: 3902 ChEBI: CHEBI:6413 IUPAC Name: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3

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Specifications

PubChem CID	3902
CAS	112809-51-5
Molecular Weight (g/mol)	285.31
ChEBI	CHEBI:6413
MDL Number	MFCD00866241
SMILES	C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3
Synonym	letrozole,femara,4,4'-1h-1,2,4-triazol-1-yl methylene dibenzonitrile,letrozol,letoval,letrazole,femera,letrozole usan:inn,unii-7lkk855w8i,4,4'-1h-1,2,4-triazol-1-ylmethanediyl dibenzonitrile
IUPAC Name	4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile
InChI Key	HPJKCIUCZWXJDR-UHFFFAOYSA-N
Molecular Formula	C17H11N5

6,517

trans,trans-4'-Ethyl-4-(4-trifluoromethoxyphenyl)bicyclohexyl 98.0+%, TCI America™

CAS: 135734-59-7 Molecular Formula: C21H29F3O Molecular Weight (g/mol): 354.457 MDL Number: MFCD09842837 InChI Key: PBIFTROFCZATFC-UHFFFAOYSA-N PubChem CID: 604782 IUPAC Name: 1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene SMILES: CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F

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Specifications

PubChem CID	604782
CAS	135734-59-7
Molecular Weight (g/mol)	354.457
MDL Number	MFCD09842837
SMILES	CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F
IUPAC Name	1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
InChI Key	PBIFTROFCZATFC-UHFFFAOYSA-N
Molecular Formula	C21H29F3O

6,518

Ethyl Violet, TCI America™

CAS: 2390-59-2 Molecular Formula: C31H42ClN3 Molecular Weight (g/mol): 492.15 MDL Number: MFCD00011765 InChI Key: JVICFMRAVNKDOE-UHFFFAOYSA-M Synonym: ethyl violet,basic violet 4,c.i. basic violet 4,ethyl violet ax,ethyl violet gga,ethyl crystal violet,lowacryl violet 4,shikiso acid brilliant blue 6b,ethyl violet biological stain,unii-94uz9rd7tj PubChem CID: 16955 IUPAC Name: tris[4-(diethylamino)phenyl]methylium chloride SMILES: [Cl-].CCN(CC)C1=CC=C(C=C1)[C+](C1=CC=C(C=C1)N(CC)CC)C1=CC=C(C=C1)N(CC)CC

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Specifications

PubChem CID	16955
CAS	2390-59-2
Molecular Weight (g/mol)	492.15
MDL Number	MFCD00011765
SMILES	[Cl-].CCN(CC)C1=CC=C(C=C1)[C+](C1=CC=C(C=C1)N(CC)CC)C1=CC=C(C=C1)N(CC)CC
Synonym	ethyl violet,basic violet 4,c.i. basic violet 4,ethyl violet ax,ethyl violet gga,ethyl crystal violet,lowacryl violet 4,shikiso acid brilliant blue 6b,ethyl violet biological stain,unii-94uz9rd7tj
IUPAC Name	tris[4-(diethylamino)phenyl]methylium chloride
InChI Key	JVICFMRAVNKDOE-UHFFFAOYSA-M
Molecular Formula	C31H42ClN3

6,519

Ethynyl(phenyl)iodonium Tetrafluoroborate 97.0+%, TCI America™

CAS: 127783-34-0 Molecular Formula: C8H6BF4I Molecular Weight (g/mol): 315.844 MDL Number: MFCD00191648 InChI Key: AVSBPVBKCONUGF-UHFFFAOYSA-N PubChem CID: 2758943 IUPAC Name: ethynyl(phenyl)iodanium;tetrafluoroborate SMILES: [B-](F)(F)(F)F.C#C[I+]C1=CC=CC=C1

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Specifications

PubChem CID	2758943
CAS	127783-34-0
Molecular Weight (g/mol)	315.844
MDL Number	MFCD00191648
SMILES	[B-](F)(F)(F)F.C#C[I+]C1=CC=CC=C1
IUPAC Name	ethynyl(phenyl)iodanium;tetrafluoroborate
InChI Key	AVSBPVBKCONUGF-UHFFFAOYSA-N
Molecular Formula	C8H6BF4I

6,520

4-Ethylbenzoic Acid 98.0+%, TCI America™

CAS: 619-64-7 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002570 InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; PubChem CID: 12086 IUPAC Name: 4-ethylbenzoic acid SMILES: CCC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	12086
CAS	619-64-7
Molecular Weight (g/mol)	150.177
MDL Number	MFCD00002570
SMILES	CCC1=CC=C(C=C1)C(=O)O
Synonym	benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid;
IUPAC Name	4-ethylbenzoic acid
InChI Key	ZQVKTHRQIXSMGY-UHFFFAOYSA-N
Molecular Formula	C9H10O2

6,521

4-Ethylphenetole 97.0+%, TCI America™

CAS: 1585-06-4 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00191432 InChI Key: BQBROHBMIBOPFU-UHFFFAOYSA-N Synonym: 1-Ethoxy-4-ethylbenzene PubChem CID: 74107 IUPAC Name: 1-ethoxy-4-ethylbenzene SMILES: CCC1=CC=C(C=C1)OCC

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Specifications

PubChem CID	74107
CAS	1585-06-4
Molecular Weight (g/mol)	150.221
MDL Number	MFCD00191432
SMILES	CCC1=CC=C(C=C1)OCC
Synonym	1-Ethoxy-4-ethylbenzene
IUPAC Name	1-ethoxy-4-ethylbenzene
InChI Key	BQBROHBMIBOPFU-UHFFFAOYSA-N
Molecular Formula	C10H14O

6,522

(1-Ethylpropyl)benzene 99.0+%, TCI America™

CAS: 1196-58-3 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.25 MDL Number: MFCD00048663 InChI Key: PBWHJRFXUPLZDS-UHFFFAOYSA-N Synonym: 3-Phenylpentane PubChem CID: 14527 IUPAC Name: (pentan-3-yl)benzene SMILES: CCC(CC)C1=CC=CC=C1

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Specifications

PubChem CID	14527
CAS	1196-58-3
Molecular Weight (g/mol)	148.25
MDL Number	MFCD00048663
SMILES	CCC(CC)C1=CC=CC=C1
Synonym	3-Phenylpentane
IUPAC Name	(pentan-3-yl)benzene
InChI Key	PBWHJRFXUPLZDS-UHFFFAOYSA-N
Molecular Formula	C11H16

6,523

4-Isopropenyltoluene (stabilized with TBC) 95.0+%, TCI America™

CAS: 1195-32-0 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.21 MDL Number: MFCD00036510 InChI Key: MMSLOZQEMPDGPI-UHFFFAOYSA-N Synonym: 1-methyl-4-prop-1-en-2-yl benzene,dehydro-p-cymene,2-p-tolylpropene,4-isopropenyltoluene,4-methylisopropenylbenzene,2-p-methylphenyl propene,p-cymenene,p,alpha-dimethylstyrene,p-alpha-dimethylstyrene,1-isopropenyl-4-methylbenzene PubChem CID: 62385 IUPAC Name: 1-methyl-4-(prop-1-en-2-yl)benzene SMILES: CC(=C)C1=CC=C(C)C=C1

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Specifications

PubChem CID	62385
CAS	1195-32-0
Molecular Weight (g/mol)	132.21
MDL Number	MFCD00036510
SMILES	CC(=C)C1=CC=C(C)C=C1
Synonym	1-methyl-4-prop-1-en-2-yl benzene,dehydro-p-cymene,2-p-tolylpropene,4-isopropenyltoluene,4-methylisopropenylbenzene,2-p-methylphenyl propene,p-cymenene,p,alpha-dimethylstyrene,p-alpha-dimethylstyrene,1-isopropenyl-4-methylbenzene
IUPAC Name	1-methyl-4-(prop-1-en-2-yl)benzene
InChI Key	MMSLOZQEMPDGPI-UHFFFAOYSA-N
Molecular Formula	C10H12

6,524

Cinnamonitrile 95.0+%, TCI America™

CAS: 1885-38-7 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.162 MDL Number: MFCD00001930 InChI Key: ZWKNLRXFUTWSOY-QPJJXVBHSA-N Synonym: cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile PubChem CID: 1550846 IUPAC Name: (E)-3-phenylprop-2-enenitrile SMILES: C1=CC=C(C=C1)C=CC#N

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Specifications

PubChem CID	1550846
CAS	1885-38-7
Molecular Weight (g/mol)	129.162
MDL Number	MFCD00001930
SMILES	C1=CC=C(C=C1)C=CC#N
Synonym	cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile
IUPAC Name	(E)-3-phenylprop-2-enenitrile
InChI Key	ZWKNLRXFUTWSOY-QPJJXVBHSA-N
Molecular Formula	C9H7N

6,525

4-Cyanobenzoic Acid 98.0+%, TCI America™

CAS: 619-65-8 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00002528 InChI Key: ADCUEPOHPCPMCE-UHFFFAOYSA-N Synonym: p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid PubChem CID: 12087 IUPAC Name: 4-cyanobenzoic acid SMILES: C1=CC(=CC=C1C#N)C(=O)O

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Specifications

PubChem CID	12087
CAS	619-65-8
Molecular Weight (g/mol)	147.133
MDL Number	MFCD00002528
SMILES	C1=CC(=CC=C1C#N)C(=O)O
Synonym	p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid
IUPAC Name	4-cyanobenzoic acid
InChI Key	ADCUEPOHPCPMCE-UHFFFAOYSA-N
Molecular Formula	C8H5NO2

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Benzene and substituted derivatives

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