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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3,601 – 3,615 of 65,514 results

3,601

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2-Aminobenzophenone, 98%

CAS: 2835-77-0 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.24 MDL Number: MFCD00007713 InChI Key: MAOBFOXLCJIFLV-UHFFFAOYSA-N Synonym: 2-aminobenzophenone,2-benzoylaniline,o-benzoylaniline,o-aminobenzophenone,2-aminophenyl phenyl methanone,methanone, 2-aminophenyl phenyl,benzophenone, 2-amino,2-amino-phenyl-phenyl-methanone,2-aminophenyl phenyl ketone,methanone, aminophenyl phenyl PubChem CID: 76080 IUPAC Name: (2-aminophenyl)-phenylmethanone SMILES: NC1=CC=CC=C1C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	76080
CAS	2835-77-0
Molecular Weight (g/mol)	197.24
MDL Number	MFCD00007713
SMILES	NC1=CC=CC=C1C(=O)C1=CC=CC=C1
Synonym	2-aminobenzophenone,2-benzoylaniline,o-benzoylaniline,o-aminobenzophenone,2-aminophenyl phenyl methanone,methanone, 2-aminophenyl phenyl,benzophenone, 2-amino,2-amino-phenyl-phenyl-methanone,2-aminophenyl phenyl ketone,methanone, aminophenyl phenyl
IUPAC Name	(2-aminophenyl)-phenylmethanone
InChI Key	MAOBFOXLCJIFLV-UHFFFAOYSA-N
Molecular Formula	C13H11NO

3,602

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2,4-Dimethoxybenzyl alcohol, 99%

CAS: 7314-44-5 Molecular Formula: C₉H₁₂O₃ Molecular Weight (g/mol): 168.19 MDL Number: MFCD00004614 InChI Key: RNKOUSCCPHSCFE-UHFFFAOYSA-N Synonym: 2,4-dimethoxybenzyl alcohol,2,4-dimethoxyphenyl methanol,benzenemethanol, 2,4-dimethoxy,2,4-dimethoxybenzylalcohol,1-hydroxymethyl-2,4-dimethoxybenzene,2,4-dimethoxyphenyl methan-1-ol,pubchem7454,acmc-209opp,2,4-dimethoxy-benzylalcohol,2,4-dimethoxybenzyl-alcohol PubChem CID: 81750 IUPAC Name: (2,4-dimethoxyphenyl)methanol SMILES: COC1=CC(=C(C=C1)CO)OC

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Specifications

PubChem CID	81750
CAS	7314-44-5
Molecular Weight (g/mol)	168.19
MDL Number	MFCD00004614
SMILES	COC1=CC(=C(C=C1)CO)OC
Synonym	2,4-dimethoxybenzyl alcohol,2,4-dimethoxyphenyl methanol,benzenemethanol, 2,4-dimethoxy,2,4-dimethoxybenzylalcohol,1-hydroxymethyl-2,4-dimethoxybenzene,2,4-dimethoxyphenyl methan-1-ol,pubchem7454,acmc-209opp,2,4-dimethoxy-benzylalcohol,2,4-dimethoxybenzyl-alcohol
IUPAC Name	(2,4-dimethoxyphenyl)methanol
InChI Key	RNKOUSCCPHSCFE-UHFFFAOYSA-N
Molecular Formula	C₉H₁₂O₃

3,603

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4-Hydroxy-3-nitrobenzaldehyde, 97%

CAS: 3011-34-5 Molecular Formula: C₇H₅NO₄ Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007117 InChI Key: YTHJCZRFJGXPTL-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobenzaldehyde,benzaldehyde, 4-hydroxy-3-nitro,3-nitro-4-hydroxybenzaldehyde,4-formyl-2-nitrophenol,4-hydroxy-3-nitro-benzaldehyde,pubchem8135,acmc-1cjnu,d03vzf,4-hydroxy-3-nitrobenzaldeyde,ksc223k5f PubChem CID: 18169 SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])O

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Specifications

PubChem CID	18169
CAS	3011-34-5
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00007117
SMILES	C1=CC(=C(C=C1C=O)[N+](=O)[O-])O
Synonym	4-hydroxy-3-nitrobenzaldehyde,benzaldehyde, 4-hydroxy-3-nitro,3-nitro-4-hydroxybenzaldehyde,4-formyl-2-nitrophenol,4-hydroxy-3-nitro-benzaldehyde,pubchem8135,acmc-1cjnu,d03vzf,4-hydroxy-3-nitrobenzaldeyde,ksc223k5f
InChI Key	YTHJCZRFJGXPTL-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO₄

3,604

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N-Methyl(diphenylmethyl)amine, 98%

CAS: 14683-47-7 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.28 MDL Number: MFCD00467853 InChI Key: SHDMMLFAFLZUEV-UHFFFAOYSA-N Synonym: n-diphenylmethyl methylamine,methylbenzhydrylamine,n-benzhydryl-n-methylamine,n-methylbenzhydrylamine,diphenylmethyl methyl amine,diphenyl-methyl methyl amine,diphenylmethyl methylamine,n-methyldiphenylmethanamine,acmc-20akaj,n-methyl benzhydrylamine PubChem CID: 411467 IUPAC Name: N-methyl-1,1-diphenylmethanamine SMILES: CNC(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	411467
CAS	14683-47-7
Molecular Weight (g/mol)	197.28
MDL Number	MFCD00467853
SMILES	CNC(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	n-diphenylmethyl methylamine,methylbenzhydrylamine,n-benzhydryl-n-methylamine,n-methylbenzhydrylamine,diphenylmethyl methyl amine,diphenyl-methyl methyl amine,diphenylmethyl methylamine,n-methyldiphenylmethanamine,acmc-20akaj,n-methyl benzhydrylamine
IUPAC Name	N-methyl-1,1-diphenylmethanamine
InChI Key	SHDMMLFAFLZUEV-UHFFFAOYSA-N
Molecular Formula	C14H15N

3,605

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2-Chloro-5-nitrobenzoic Acid, 99+%

CAS: 2516-96-3 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007294 InChI Key: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

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Specifications

PubChem CID	17287
CAS	2516-96-3
Molecular Weight (g/mol)	201.56
MDL Number	MFCD00007294
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Synonym	2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid
InChI Key	QUEKGYQTRJVEQC-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

3,606

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4-Fluorobenzoic acid, 99%

CAS: 456-22-4 Molecular Formula: C₇H₅FO₂ Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002530 InChI Key: BBYDXOIZLAWGSL-UHFFFAOYSA-N Synonym: p-fluorobenzoic acid,benzoic acid, 4-fluoro,para-fluorobenzoic acid,4-fluoro-benzoic acid,benzoic acid, p-fluoro,unii-v5roo2hou4,p-fluoro-benzoic acid,v5roo2hou4,4-fluorobenzoatd,p-flurobenzoic acid PubChem CID: 9973 ChEBI: CHEBI:20364 IUPAC Name: 4-fluorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)F

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Specifications

PubChem CID	9973
CAS	456-22-4
Molecular Weight (g/mol)	140.11
ChEBI	CHEBI:20364
MDL Number	MFCD00002530
SMILES	C1=CC(=CC=C1C(=O)O)F
Synonym	p-fluorobenzoic acid,benzoic acid, 4-fluoro,para-fluorobenzoic acid,4-fluoro-benzoic acid,benzoic acid, p-fluoro,unii-v5roo2hou4,p-fluoro-benzoic acid,v5roo2hou4,4-fluorobenzoatd,p-flurobenzoic acid
IUPAC Name	4-fluorobenzoic acid
InChI Key	BBYDXOIZLAWGSL-UHFFFAOYSA-N
Molecular Formula	C₇H₅FO₂

3,607

2-Chloro-3-nitrobenzoic acid, 98%

CAS: 3970-35-2 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O

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Specifications

PubChem CID	19870
CAS	3970-35-2
Molecular Weight (g/mol)	201.57
MDL Number	MFCD00007069
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
Synonym	2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid
InChI Key	JRQDVRIQJJPHEQ-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

3,608

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3,5-Dimethylphenylacetonitrile, 98%

CAS: 39101-54-7 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.205 MDL Number: MFCD00060304 InChI Key: LMUKNQSVBFEUKR-UHFFFAOYSA-N Synonym: 3,5-dimethylphenylacetonitrile,2-3,5-dimethylphenyl acetonitrile,3,5-dimethylphenyl acetonitrile,benzeneacetonitrile, 3,5-dimethyl,3,5-dimethyl-phenyl-acetonitrile,2-3,5-dimethylphenyl ethanenitrile,acmc-20a3vm,3.5-dimethylphenylacetonitril,3,5-dimethylbenzeneacetonitrile,3,5-dimethylphenylethanenitrile PubChem CID: 123481 IUPAC Name: 2-(3,5-dimethylphenyl)acetonitrile SMILES: CC1=CC(=CC(=C1)CC#N)C

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Specifications

PubChem CID	123481
CAS	39101-54-7
Molecular Weight (g/mol)	145.205
MDL Number	MFCD00060304
SMILES	CC1=CC(=CC(=C1)CC#N)C
Synonym	3,5-dimethylphenylacetonitrile,2-3,5-dimethylphenyl acetonitrile,3,5-dimethylphenyl acetonitrile,benzeneacetonitrile, 3,5-dimethyl,3,5-dimethyl-phenyl-acetonitrile,2-3,5-dimethylphenyl ethanenitrile,acmc-20a3vm,3.5-dimethylphenylacetonitril,3,5-dimethylbenzeneacetonitrile,3,5-dimethylphenylethanenitrile
IUPAC Name	2-(3,5-dimethylphenyl)acetonitrile
InChI Key	LMUKNQSVBFEUKR-UHFFFAOYSA-N
Molecular Formula	C10H11N

3,609

3-Methyl-4-nitrobenzoic acid, 99%

CAS: 3113-71-1 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	18370
CAS	3113-71-1
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007168
SMILES	CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
InChI Key	XDTTUTIFWDAMIX-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

3,610

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2-Nitrobenzyl bromide, 97%

CAS: 3958-60-9 Molecular Formula: C₇H₆BrNO₂ Molecular Weight (g/mol): 216.03 MDL Number: MFCD00007184 InChI Key: HXBMIQJOSHZCFX-UHFFFAOYSA-N Synonym: 2-nitrobenzyl bromide,1-bromomethyl-2-nitrobenzene,o-nitrobenzyl bromide,alpha-bromo-2-nitrotoluene,2-bromomethyl nitrobenzene,1-bromomethyl-2-nitro-benzene,benzene, 1-bromomethyl-2-nitro,ccris 7966,2-nitro benzyl bromide,2-nitro-benzyl bromide PubChem CID: 77569 IUPAC Name: 1-(bromomethyl)-2-nitrobenzene SMILES: C1=CC=C(C(=C1)CBr)[N+](=O)[O-]

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Specifications

PubChem CID	77569
CAS	3958-60-9
Molecular Weight (g/mol)	216.03
MDL Number	MFCD00007184
SMILES	C1=CC=C(C(=C1)CBr)[N+](=O)[O-]
Synonym	2-nitrobenzyl bromide,1-bromomethyl-2-nitrobenzene,o-nitrobenzyl bromide,alpha-bromo-2-nitrotoluene,2-bromomethyl nitrobenzene,1-bromomethyl-2-nitro-benzene,benzene, 1-bromomethyl-2-nitro,ccris 7966,2-nitro benzyl bromide,2-nitro-benzyl bromide
IUPAC Name	1-(bromomethyl)-2-nitrobenzene
InChI Key	HXBMIQJOSHZCFX-UHFFFAOYSA-N
Molecular Formula	C₇H₆BrNO₂

3,611

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5-Bromo-2-anisaldehyde, 99%

CAS: 25016-01-7 Molecular Formula: C₈H₇BrO₂ Molecular Weight (g/mol): 215.05 MDL Number: MFCD00003347 InChI Key: IJIBRSFAXRFPPN-UHFFFAOYSA-N Synonym: 5-bromo-2-anisaldehyde,5-bromo-o-anisaldehyde,2-methoxy-5-bromobenzaldehyde,benzaldehyde, 5-bromo-2-methoxy,5-bromo-2-methoxy-benzaldehyde,pubchem2644,acmc-209ggg,intermediates-zcf02672,o-anisaldehyde, 5-bromo,ksc494q2j PubChem CID: 90684 IUPAC Name: 5-bromo-2-methoxybenzaldehyde SMILES: COC1=C(C=C(C=C1)Br)C=O

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Specifications

PubChem CID	90684
CAS	25016-01-7
Molecular Weight (g/mol)	215.05
MDL Number	MFCD00003347
SMILES	COC1=C(C=C(C=C1)Br)C=O
Synonym	5-bromo-2-anisaldehyde,5-bromo-o-anisaldehyde,2-methoxy-5-bromobenzaldehyde,benzaldehyde, 5-bromo-2-methoxy,5-bromo-2-methoxy-benzaldehyde,pubchem2644,acmc-209ggg,intermediates-zcf02672,o-anisaldehyde, 5-bromo,ksc494q2j
IUPAC Name	5-bromo-2-methoxybenzaldehyde
InChI Key	IJIBRSFAXRFPPN-UHFFFAOYSA-N
Molecular Formula	C₈H₇BrO₂

3,612

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4-Amino-2-(trifluoromethyl)benzonitrile, 97%

CAS: 654-70-6 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.137 MDL Number: MFCD00042155 InChI Key: PMDYLCUKSLBUHO-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile PubChem CID: 522170 IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C#N

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Specifications

PubChem CID	522170
CAS	654-70-6
Molecular Weight (g/mol)	186.137
MDL Number	MFCD00042155
SMILES	C1=CC(=C(C=C1N)C(F)(F)F)C#N
Synonym	4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile
IUPAC Name	4-amino-2-(trifluoromethyl)benzonitrile
InChI Key	PMDYLCUKSLBUHO-UHFFFAOYSA-N
Molecular Formula	C8H5F3N2

3,613

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4-Fluorobenzylamine, 97%

CAS: 140-75-0 InChI Key: IIFVWLUQBAIPMJ-UHFFFAOYSA-N Synonym: 4-fluorobenzylamine,4-fluorophenyl methanamine,benzenemethanamine, 4-fluoro,p-fluorobenzylamine,benzylamine, p-fluoro,p-fluorobenzyl amine,4-fluoro-benzylamine,1-4-fluorophenyl methanamine,4-fluorobenzyl amine,chembl12392 PubChem CID: 67326 IUPAC Name: (4-fluorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)F

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Specifications

PubChem CID	67326
CAS	140-75-0
SMILES	C1=CC(=CC=C1CN)F
Synonym	4-fluorobenzylamine,4-fluorophenyl methanamine,benzenemethanamine, 4-fluoro,p-fluorobenzylamine,benzylamine, p-fluoro,p-fluorobenzyl amine,4-fluoro-benzylamine,1-4-fluorophenyl methanamine,4-fluorobenzyl amine,chembl12392
IUPAC Name	(4-fluorophenyl)methanamine
InChI Key	IIFVWLUQBAIPMJ-UHFFFAOYSA-N

3,614

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Diphenylcarbazone, suitable for colorimetric analysis

CAS: 538-62-5 Molecular Formula: C₁₃H₁₂N₄O Molecular Weight (g/mol): 240.26 MDL Number: MFCD00003024 InChI Key: ZFWAHZCOKGWUIT-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazone,diazenecarboxylic acid, phenyl-, 2-phenylhydrazide,unii-5uyj4r0d5t,phenylazoformic acid 2-phenylhydrazide,sym-diphenylcarbazone,5uyj4r0d5t,chembl79409,3-hydroxy-1,5-diphenylformazan,phenyldiazenecarboxylic acid 2-phenylhydrazide,3-phenylamino-1-phenylimino urea PubChem CID: 10860 IUPAC Name: 1-anilino-3-phenyliminourea SMILES: C1=CC=C(C=C1)NNC(=O)N=NC2=CC=CC=C2

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Specifications

PubChem CID	10860
CAS	538-62-5
Molecular Weight (g/mol)	240.26
MDL Number	MFCD00003024
SMILES	C1=CC=C(C=C1)NNC(=O)N=NC2=CC=CC=C2
Synonym	1,5-diphenylcarbazone,diazenecarboxylic acid, phenyl-, 2-phenylhydrazide,unii-5uyj4r0d5t,phenylazoformic acid 2-phenylhydrazide,sym-diphenylcarbazone,5uyj4r0d5t,chembl79409,3-hydroxy-1,5-diphenylformazan,phenyldiazenecarboxylic acid 2-phenylhydrazide,3-phenylamino-1-phenylimino urea
IUPAC Name	1-anilino-3-phenyliminourea
InChI Key	ZFWAHZCOKGWUIT-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₂N₄O

3,615

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1-Triphenylphosphoranylidene-2-propanone, 99%

CAS: 1439-36-7 Molecular Formula: C21H19OP Molecular Weight (g/mol): 318.36 MDL Number: MFCD00008774 InChI Key: KAANTNXREIRLCT-UHFFFAOYSA-N Synonym: acetylmethylene triphenylphosphorane,1-triphenylphosphoranylidene propan-2-one,1-triphenylphosphoranylidene-2-propanone,1-triphenylphosphoranylidene acetone,2-propanone, 1-triphenylphosphoranylidene,acetonylidenetriphenyl phosphorane,acetylmethylene triphenylphosphine,triphenylacetylmethylene phosphorane,2-propanone, triphenylphosphoranylidene,triphenylphosphoranylidene-2-propanone PubChem CID: 15038 IUPAC Name: 1-(triphenyl-$l^{5}-phosphanylidene)propan-2-one SMILES: CC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	15038
CAS	1439-36-7
Molecular Weight (g/mol)	318.36
MDL Number	MFCD00008774
SMILES	CC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	acetylmethylene triphenylphosphorane,1-triphenylphosphoranylidene propan-2-one,1-triphenylphosphoranylidene-2-propanone,1-triphenylphosphoranylidene acetone,2-propanone, 1-triphenylphosphoranylidene,acetonylidenetriphenyl phosphorane,acetylmethylene triphenylphosphine,triphenylacetylmethylene phosphorane,2-propanone, triphenylphosphoranylidene,triphenylphosphoranylidene-2-propanone
IUPAC Name	1-(triphenyl-$l^{5}-phosphanylidene)propan-2-one
InChI Key	KAANTNXREIRLCT-UHFFFAOYSA-N
Molecular Formula	C21H19OP

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