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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3,871 – 3,885 of 119,396 results

3,871

4-(1H-Imidazol-1-ylmethyl)-N-methylbenzylamine 1.5 oxalate 0.5 hydrate, 97%, Thermo Scientific™

CAS: 910036-84-9 Molecular Formula: C14H17N3O4 Molecular Weight (g/mol): 291.307 MDL Number: MFCD09064952 InChI Key: AIQAEMDKVTYASZ-UHFFFAOYSA-N Synonym: oxalic acid; 4-imidazol-1-ylmethyl phenyl methyl methyl amine,oxalic acid-1-4-1h-imidazol-1-yl methyl phenyl-n-methylmethanamine 1/1 PubChem CID: 24229491 IUPAC Name: 1-[4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine;oxalic acid SMILES: CNCC1=CC=C(C=C1)CN2C=CN=C2.C(=O)(C(=O)O)O

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Specifications

PubChem CID	24229491
CAS	910036-84-9
Molecular Weight (g/mol)	291.307
MDL Number	MFCD09064952
SMILES	CNCC1=CC=C(C=C1)CN2C=CN=C2.C(=O)(C(=O)O)O
Synonym	oxalic acid; 4-imidazol-1-ylmethyl phenyl methyl methyl amine,oxalic acid-1-4-1h-imidazol-1-yl methyl phenyl-n-methylmethanamine 1/1
IUPAC Name	1-[4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine;oxalic acid
InChI Key	AIQAEMDKVTYASZ-UHFFFAOYSA-N
Molecular Formula	C14H17N3O4

3,872

(3-Thien-3-ylphenyl)methylamine, 97%, Thermo Scientific™

CAS: 138139-99-8 Molecular Formula: C11H11NS Molecular Weight (g/mol): 189.276 MDL Number: MFCD08690276 InChI Key: GBUXQFDNGWGBJH-UHFFFAOYSA-N Synonym: 3-thien-3-ylphenyl methylamine,3-thiophen-3-yl phenyl methanamine,1-3-thiophen-3-yl phenyl methanamine,3-thiophen-3-yl-benzylamine,3-3-thienyl phenyl methylamine,3-thiophen-3-ylphenyl methylamine PubChem CID: 19916941 IUPAC Name: (3-thiophen-3-ylphenyl)methanamine SMILES: C1=CC(=CC(=C1)CN)C2=CSC=C2

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Specifications

PubChem CID	19916941
CAS	138139-99-8
Molecular Weight (g/mol)	189.276
MDL Number	MFCD08690276
SMILES	C1=CC(=CC(=C1)CN)C2=CSC=C2
Synonym	3-thien-3-ylphenyl methylamine,3-thiophen-3-yl phenyl methanamine,1-3-thiophen-3-yl phenyl methanamine,3-thiophen-3-yl-benzylamine,3-3-thienyl phenyl methylamine,3-thiophen-3-ylphenyl methylamine
IUPAC Name	(3-thiophen-3-ylphenyl)methanamine
InChI Key	GBUXQFDNGWGBJH-UHFFFAOYSA-N
Molecular Formula	C11H11NS

3,873

Bromhexine hydrochloride, 98+%

CAS: 611-75-6 Molecular Formula: C14H21Br2ClN2 Molecular Weight (g/mol): 412.59 MDL Number: MFCD00056626 InChI Key: SXIVGYTWSVJOLM-UHFFFAOYNA-N Synonym: bromhexine hydrochloride,bromhexine hcl,auxit,bisolvon,broncokin,viscolyt,bromohexine hydrochloride,bromhexine chloride,quentan,unii-yc2zom3z8v PubChem CID: 5702220 ChEBI: CHEBI:31303 IUPAC Name: hydrogen 2-(1-amino-1-cyclohexylethyl)-4,6-dibromoaniline chloride SMILES: [H+].[Cl-].CC(N)(C1CCCCC1)C1=CC(Br)=CC(Br)=C1N

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Specifications

PubChem CID	5702220
CAS	611-75-6
Molecular Weight (g/mol)	412.59
ChEBI	CHEBI:31303
MDL Number	MFCD00056626
SMILES	[H+].[Cl-].CC(N)(C1CCCCC1)C1=CC(Br)=CC(Br)=C1N
Synonym	bromhexine hydrochloride,bromhexine hcl,auxit,bisolvon,broncokin,viscolyt,bromohexine hydrochloride,bromhexine chloride,quentan,unii-yc2zom3z8v
IUPAC Name	hydrogen 2-(1-amino-1-cyclohexylethyl)-4,6-dibromoaniline chloride
InChI Key	SXIVGYTWSVJOLM-UHFFFAOYNA-N
Molecular Formula	C14H21Br2ClN2

3,874

1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]pyrrolidine, 97%, Thermo Scientific™

CAS: 884507-45-3 Molecular Formula: C17H26BNO2 Molecular Weight (g/mol): 287.21 MDL Number: MFCD08741425 InChI Key: AKQLICZDOCQKRA-UHFFFAOYSA-N Synonym: 1-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl pyrrolidine,1-3-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl pyrrolidine,1-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl pyrrolidine,amtb769,3-pyrrolidinomethyl phenylboronic acid, pinacol ester,3-pyrrolidine methyl phenylboronic acid pinacol ester,pyrrolidine,1-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl PubChem CID: 18525872 SMILES: CC1(C)OB(OC1(C)C)C1=CC(CN2CCCC2)=CC=C1

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Specifications

PubChem CID	18525872
CAS	884507-45-3
Molecular Weight (g/mol)	287.21
MDL Number	MFCD08741425
SMILES	CC1(C)OB(OC1(C)C)C1=CC(CN2CCCC2)=CC=C1
Synonym	1-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl pyrrolidine,1-3-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl pyrrolidine,1-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl pyrrolidine,amtb769,3-pyrrolidinomethyl phenylboronic acid, pinacol ester,3-pyrrolidine methyl phenylboronic acid pinacol ester,pyrrolidine,1-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl
InChI Key	AKQLICZDOCQKRA-UHFFFAOYSA-N
Molecular Formula	C17H26BNO2

3,875

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4-Bromo-2,2-diphenylbutyronitrile, 95%

CAS: 39186-58-8 Molecular Formula: C16H14BrN Molecular Weight (g/mol): 300.199 MDL Number: MFCD00001845 InChI Key: IGYSFJHVFHNOEI-UHFFFAOYSA-N Synonym: 4-bromo-2,2-diphenylbutyronitrile,2,2-diphenyl-4-bromobutyronitrile,4-bromo-2,2-diphenyl-butyronitrile,3-cyano-3,3-diphenylpropyl bromide,benzeneacetonitrile, .alpha.-2-bromoethyl-.alpha.-phenyl,acmc-1csza,butyronitrile,2-diphenyl,ksc495i2r,aronis25014,bromoethyl diphenyl acetonitrile PubChem CID: 96575 IUPAC Name: 4-bromo-2,2-diphenylbutanenitrile SMILES: C1=CC=C(C=C1)C(CCBr)(C#N)C2=CC=CC=C2

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Specifications

PubChem CID	96575
CAS	39186-58-8
Molecular Weight (g/mol)	300.199
MDL Number	MFCD00001845
SMILES	C1=CC=C(C=C1)C(CCBr)(C#N)C2=CC=CC=C2
Synonym	4-bromo-2,2-diphenylbutyronitrile,2,2-diphenyl-4-bromobutyronitrile,4-bromo-2,2-diphenyl-butyronitrile,3-cyano-3,3-diphenylpropyl bromide,benzeneacetonitrile, .alpha.-2-bromoethyl-.alpha.-phenyl,acmc-1csza,butyronitrile,2-diphenyl,ksc495i2r,aronis25014,bromoethyl diphenyl acetonitrile
IUPAC Name	4-bromo-2,2-diphenylbutanenitrile
InChI Key	IGYSFJHVFHNOEI-UHFFFAOYSA-N
Molecular Formula	C16H14BrN

3,876

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4-Diethylaminobenzaldehyde, 97%

CAS: 120-21-8 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.247 MDL Number: MFCD00003382 InChI Key: MNFZZNNFORDXSV-UHFFFAOYSA-N Synonym: 4-diethylamino benzaldehyde,benzaldehyde, 4-diethylamino,p-diethylamino benzaldehyde,p-formyl-n,n-diethylaniline,4-diethylamino-benzaldehyde,benzaldehyde, p-diethylamino,unii-s640xwl10h,p-n,n-diethylaminobenzaldehyde,p-diethylaminobenzaldehyde,4-n,n-diethylamino benzaldehyde PubChem CID: 67114 ChEBI: CHEBI:86194 IUPAC Name: 4-(diethylamino)benzaldehyde SMILES: CCN(CC)C1=CC=C(C=C1)C=O

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Specifications

PubChem CID	67114
CAS	120-21-8
Molecular Weight (g/mol)	177.247
ChEBI	CHEBI:86194
MDL Number	MFCD00003382
SMILES	CCN(CC)C1=CC=C(C=C1)C=O
Synonym	4-diethylamino benzaldehyde,benzaldehyde, 4-diethylamino,p-diethylamino benzaldehyde,p-formyl-n,n-diethylaniline,4-diethylamino-benzaldehyde,benzaldehyde, p-diethylamino,unii-s640xwl10h,p-n,n-diethylaminobenzaldehyde,p-diethylaminobenzaldehyde,4-n,n-diethylamino benzaldehyde
IUPAC Name	4-(diethylamino)benzaldehyde
InChI Key	MNFZZNNFORDXSV-UHFFFAOYSA-N
Molecular Formula	C11H15NO

3,877

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Ethyl 3-benzoylacrylate, predominantly trans, 94%

CAS: 17450-56-5 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.225 MDL Number: MFCD00011533 InChI Key: ACXLBHHUHSJENU-CMDGGOBGSA-N Synonym: ethyl 3-benzoylacrylate,ethyl 4-oxo-4-phenylbut-2-enoate,ethyl-3-benzoylacrylate,e-ethyl 4-oxo-4-phenylbut-2-enoate,ethyl trans-3-benzoylacrylate,trans-3-benzoylacrylic acid ethyl ester,ethyl 2e-4-oxo-4-phenylbut-2-enoate,ethyl e-4-oxo-4-phenylbut-2-enoate,trans-3-benzoylacrilic acid ethyl ester,ethyl=3-benzoylacrylate PubChem CID: 5369605 IUPAC Name: ethyl (E)-4-oxo-4-phenylbut-2-enoate SMILES: CCOC(=O)C=CC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	5369605
CAS	17450-56-5
Molecular Weight (g/mol)	204.225
MDL Number	MFCD00011533
SMILES	CCOC(=O)C=CC(=O)C1=CC=CC=C1
Synonym	ethyl 3-benzoylacrylate,ethyl 4-oxo-4-phenylbut-2-enoate,ethyl-3-benzoylacrylate,e-ethyl 4-oxo-4-phenylbut-2-enoate,ethyl trans-3-benzoylacrylate,trans-3-benzoylacrylic acid ethyl ester,ethyl 2e-4-oxo-4-phenylbut-2-enoate,ethyl e-4-oxo-4-phenylbut-2-enoate,trans-3-benzoylacrilic acid ethyl ester,ethyl=3-benzoylacrylate
IUPAC Name	ethyl (E)-4-oxo-4-phenylbut-2-enoate
InChI Key	ACXLBHHUHSJENU-CMDGGOBGSA-N
Molecular Formula	C12H12O3

3,878

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3-chlorobenzaldehyde, 99%

CAS: 587-04-2 Molecular Formula: C₇H₅ClO Molecular Weight (g/mol): 140.57 MDL Number: MFCD00003350 InChI Key: SRWILAKSARHZPR-UHFFFAOYSA-N Synonym: m-chlorobenzaldehyde,benzaldehyde, 3-chloro,mcad,meta-chlorobenzaldehyde,benzaldehyde, m-chloro,3-chloro benzaldehyde,3-chloro-benzaldehyde,benzaldehyde, 3-chloro-9ci,ccris 8613,3-chiorobenzaldehyde PubChem CID: 11477 IUPAC Name: 3-chlorobenzaldehyde SMILES: C1=CC(=CC(=C1)Cl)C=O

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Specifications

PubChem CID	11477
CAS	587-04-2
Molecular Weight (g/mol)	140.57
MDL Number	MFCD00003350
SMILES	C1=CC(=CC(=C1)Cl)C=O
Synonym	m-chlorobenzaldehyde,benzaldehyde, 3-chloro,mcad,meta-chlorobenzaldehyde,benzaldehyde, m-chloro,3-chloro benzaldehyde,3-chloro-benzaldehyde,benzaldehyde, 3-chloro-9ci,ccris 8613,3-chiorobenzaldehyde
IUPAC Name	3-chlorobenzaldehyde
InChI Key	SRWILAKSARHZPR-UHFFFAOYSA-N
Molecular Formula	C₇H₅ClO

3,879

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4,4'-Biphenyldicarboxylic acid, 98%

CAS: 787-70-2 Molecular Formula: C₁₄H₁₀O₄ Molecular Weight (g/mol): 242.23 MDL Number: MFCD00002554 InChI Key: NEQFBGHQPUXOFH-UHFFFAOYSA-N Synonym: biphenyl-4,4'-dicarboxylic acid,4,4'-biphenyldicarboxylic acid,1,1'-biphenyl-4,4'-dicarboxylic acid,4-4-carboxyphenyl benzoic acid,4,4'-bibenzoic acid,4,4'-diphenic acid,4,4'-dicarboxybiphenyl,p,p'-diphenic acid,usaf do-69,bibenzoic acid PubChem CID: 13084 IUPAC Name: 4-(4-carboxyphenyl)benzoic acid SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O

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Specifications

PubChem CID	13084
CAS	787-70-2
Molecular Weight (g/mol)	242.23
MDL Number	MFCD00002554
SMILES	C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O
Synonym	biphenyl-4,4'-dicarboxylic acid,4,4'-biphenyldicarboxylic acid,1,1'-biphenyl-4,4'-dicarboxylic acid,4-4-carboxyphenyl benzoic acid,4,4'-bibenzoic acid,4,4'-diphenic acid,4,4'-dicarboxybiphenyl,p,p'-diphenic acid,usaf do-69,bibenzoic acid
IUPAC Name	4-(4-carboxyphenyl)benzoic acid
InChI Key	NEQFBGHQPUXOFH-UHFFFAOYSA-N
Molecular Formula	C₁₄H₁₀O₄

3,880

3-(2-Methyl-thiazol-4-yl)-benzaldehyde, 97%, Thermo Scientific™

CAS: 850375-05-2 Molecular Formula: C11H9NOS Molecular Weight (g/mol): 203.26 MDL Number: MFCD02681946 InChI Key: FQQPVEKQPGDYPD-UHFFFAOYSA-N PubChem CID: 7127782 IUPAC Name: 3-(2-methyl-1,3-thiazol-4-yl)benzaldehyde SMILES: CC1=NC(=CS1)C1=CC(C=O)=CC=C1

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Specifications

PubChem CID	7127782
CAS	850375-05-2
Molecular Weight (g/mol)	203.26
MDL Number	MFCD02681946
SMILES	CC1=NC(=CS1)C1=CC(C=O)=CC=C1
IUPAC Name	3-(2-methyl-1,3-thiazol-4-yl)benzaldehyde
InChI Key	FQQPVEKQPGDYPD-UHFFFAOYSA-N
Molecular Formula	C11H9NOS

3,881

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m-Anisaldehyde, 97%

CAS: 591-31-1 Molecular Formula: C₈H₈O₂ Molecular Weight (g/mol): 136.15 InChI Key: WMPDAIZRQDCGFH-UHFFFAOYSA-N Synonym: m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh PubChem CID: 11569 IUPAC Name: 3-methoxybenzaldehyde SMILES: COC1=CC=CC(=C1)C=O

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Specifications

PubChem CID	11569
CAS	591-31-1
Molecular Weight (g/mol)	136.15
SMILES	COC1=CC=CC(=C1)C=O
Synonym	m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh
IUPAC Name	3-methoxybenzaldehyde
InChI Key	WMPDAIZRQDCGFH-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₂

3,882

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Methyl diphenylacetate, 98%

CAS: 3469-00-9 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.28 MDL Number: MFCD00025869 InChI Key: AORIUCNKPVHMTN-UHFFFAOYSA-N Synonym: methyl diphenylacetate,diphenylacetic acid, methyl ester,acetic acid, diphenyl-, methyl ester,benzeneacetic acid, .alpha.-phenyl-, methyl ester,methyldiphenylacetate,cbmicro_020304,acmc-209i9m,c6h5 2chcooch3,diphenylacetic acid methyl ester PubChem CID: 77019 IUPAC Name: methyl 2,2-diphenylacetate SMILES: COC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	77019
CAS	3469-00-9
Molecular Weight (g/mol)	226.28
MDL Number	MFCD00025869
SMILES	COC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	methyl diphenylacetate,diphenylacetic acid, methyl ester,acetic acid, diphenyl-, methyl ester,benzeneacetic acid, .alpha.-phenyl-, methyl ester,methyldiphenylacetate,cbmicro_020304,acmc-209i9m,c6h5 2chcooch3,diphenylacetic acid methyl ester
IUPAC Name	methyl 2,2-diphenylacetate
InChI Key	AORIUCNKPVHMTN-UHFFFAOYSA-N
Molecular Formula	C15H14O2

3,883

Tamoxifen, MP Biomedicals

CAS: 10540-29-1 Molecular Formula: C26H29NO Molecular Weight (g/mol): 371.52 MDL Number: MFCD00010454 InChI Key: NKANXQFJJICGDU-QPLCGJKRSA-N SMILES: CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1

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Specifications

CAS	10540-29-1
Molecular Weight (g/mol)	371.52
MDL Number	MFCD00010454
SMILES	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
InChI Key	NKANXQFJJICGDU-QPLCGJKRSA-N
Molecular Formula	C26H29NO

3,884

Diphenylmethanol, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

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3,885

Benztropine Mesylate, MP Biomedicals™

CAS: 132-17-2 Molecular Formula: C22H29NO4S Molecular Weight (g/mol): 403.54 MDL Number: MFCD00074784 InChI Key: CPFJLLXFNPCTDW-STYNFMPRSA-N Synonym: benztropine mesylate,cogentin,benztropine mesilate,benztropine methanesulfonate,unii-wmj8tl7510,benztropine methylsulfonate,benzatropine mesilate,benzatropine mesylate,benzotropine mesylate,cobrentin methanesulfonate PubChem CID: 3246155 SMILES: CS(O)(=O)=O.CN1[C@@H]2CC[C@@H]1CC(C2)OC(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	3246155
CAS	132-17-2
Molecular Weight (g/mol)	403.54
MDL Number	MFCD00074784
SMILES	CS(O)(=O)=O.CN1[C@@H]2CC[C@@H]1CC(C2)OC(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	benztropine mesylate,cogentin,benztropine mesilate,benztropine methanesulfonate,unii-wmj8tl7510,benztropine methylsulfonate,benzatropine mesilate,benzatropine mesylate,benzotropine mesylate,cobrentin methanesulfonate
InChI Key	CPFJLLXFNPCTDW-STYNFMPRSA-N
Molecular Formula	C22H29NO4S

Benzene and substituted derivatives

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