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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2,476 – 2,490 of 64,662 results

2,476

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3-Hydroxybenzyl alcohol, 97%

CAS: 620-24-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00004643 InChI Key: OKVJCVWFVRATSG-UHFFFAOYSA-N Synonym: 3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol PubChem CID: 102 ChEBI: CHEBI:17069 IUPAC Name: 3-(hydroxymethyl)phenol SMILES: C1=CC(=CC(=C1)O)CO

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Specifications

PubChem CID	102
CAS	620-24-6
Molecular Weight (g/mol)	124.139
ChEBI	CHEBI:17069
MDL Number	MFCD00004643
SMILES	C1=CC(=CC(=C1)O)CO
Synonym	3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol
IUPAC Name	3-(hydroxymethyl)phenol
InChI Key	OKVJCVWFVRATSG-UHFFFAOYSA-N
Molecular Formula	C7H8O2

2,477

Dibromobis(triphenylphosphine)nickel(II), 99%, Thermo Scientific Chemicals

CAS: 14126-37-5 Molecular Formula: C36H30Br2NiP2 Molecular Weight (g/mol): 743.09 MDL Number: MFCD00015865 InChI Key: QEKXARSPUFVXIX-UHFFFAOYSA-L Synonym: nickel ii bromide bis triphenylphosphine,nibr2 pph3 2,dibromobis triphenylphosphine nickel ii,bis triphenylphosphine nickel ii bromide,dibromobis triphenylphosphine nickel,dibromonickel; bis triphenylphosphine,bis triphenylphosphine dibromonickel ii PubChem CID: 11050914 IUPAC Name: dibromonickel;triphenylphosphane SMILES: Br[Ni]Br.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	11050914
CAS	14126-37-5
Molecular Weight (g/mol)	743.09
MDL Number	MFCD00015865
SMILES	Br[Ni]Br.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	nickel ii bromide bis triphenylphosphine,nibr2 pph3 2,dibromobis triphenylphosphine nickel ii,bis triphenylphosphine nickel ii bromide,dibromobis triphenylphosphine nickel,dibromonickel; bis triphenylphosphine,bis triphenylphosphine dibromonickel ii
IUPAC Name	dibromonickel;triphenylphosphane
InChI Key	QEKXARSPUFVXIX-UHFFFAOYSA-L
Molecular Formula	C36H30Br2NiP2

2,478

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2-Bromotoluene, 99%

CAS: 95-46-5 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000068 InChI Key: QSSXJPIWXQTSIX-UHFFFAOYSA-N Synonym: 2-bromotoluene,o-bromotoluene,2-methylbromobenzene,o-tolyl bromide,benzene, 1-bromo-2-methyl,toluene, o-bromo,2-bromo-1-methylbenzene,2-tolyl bromide,1-methyl-2-bromobenzene,o-methylphenyl bromide PubChem CID: 7236 IUPAC Name: 1-bromo-2-methylbenzene SMILES: CC1=CC=CC=C1Br

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Specifications

PubChem CID	7236
CAS	95-46-5
Molecular Weight (g/mol)	171.04
MDL Number	MFCD00000068
SMILES	CC1=CC=CC=C1Br
Synonym	2-bromotoluene,o-bromotoluene,2-methylbromobenzene,o-tolyl bromide,benzene, 1-bromo-2-methyl,toluene, o-bromo,2-bromo-1-methylbenzene,2-tolyl bromide,1-methyl-2-bromobenzene,o-methylphenyl bromide
IUPAC Name	1-bromo-2-methylbenzene
InChI Key	QSSXJPIWXQTSIX-UHFFFAOYSA-N
Molecular Formula	C7H7Br

2,479

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Methyl 2-amino-5-chlorobenzoate, 95%, Thermo Scientific™

CAS: 5202-89-1 Molecular Formula: C₈H₈ClNO₂ Molecular Weight (g/mol): 185.61 MDL Number: MFCD00007837 InChI Key: IGHVUURTQGBABT-UHFFFAOYSA-N Synonym: methyl 5-chloroanthranilate,methyl2-amino-5-chlorobenzoate,5-chloroanthranilic acid methyl ester,benzoic acid, 2-amino-5-chloro-, methyl ester,2-amino-5-chlorobenzoic acid methyl ester,anthranilic acid, 5-chloro-, methyl ester,2-amino-5-chloro-benzoic acid methyl ester,pubchem3346,acmc-1axns,methyl-5-chloroanthranilate PubChem CID: 78878 IUPAC Name: methyl 2-amino-5-chlorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)N

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Specifications

PubChem CID	78878
CAS	5202-89-1
Molecular Weight (g/mol)	185.61
MDL Number	MFCD00007837
SMILES	COC(=O)C1=C(C=CC(=C1)Cl)N
Synonym	methyl 5-chloroanthranilate,methyl2-amino-5-chlorobenzoate,5-chloroanthranilic acid methyl ester,benzoic acid, 2-amino-5-chloro-, methyl ester,2-amino-5-chlorobenzoic acid methyl ester,anthranilic acid, 5-chloro-, methyl ester,2-amino-5-chloro-benzoic acid methyl ester,pubchem3346,acmc-1axns,methyl-5-chloroanthranilate
IUPAC Name	methyl 2-amino-5-chlorobenzoate
InChI Key	IGHVUURTQGBABT-UHFFFAOYSA-N
Molecular Formula	C₈H₈ClNO₂

2,480

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Tris(4-methoxyphenyl)phosphine, 95%

CAS: 855-38-9 Molecular Formula: C₂₁H₂₁O₃P Molecular Weight (g/mol): 352.36 MDL Number: MFCD00014896 InChI Key: UYUUAUOYLFIRJG-UHFFFAOYSA-N Synonym: tris 4-methoxyphenyl phosphine,trianisylphosphine,tris p-anisyl phosphine,phosphine, tris 4-methoxyphenyl,tri-p-anisylphosphine,tris p-methoxyphenyl phosphine,tris 4-methoxyphenyl phosphane,phosphine, tris p-methoxyphenyl,tri 4-methoxyphenyl phosphine,tri p-methoxyphenyl phosphine PubChem CID: 70071 IUPAC Name: tris(4-methoxyphenyl)phosphane SMILES: COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

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Specifications

PubChem CID	70071
CAS	855-38-9
Molecular Weight (g/mol)	352.36
MDL Number	MFCD00014896
SMILES	COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
Synonym	tris 4-methoxyphenyl phosphine,trianisylphosphine,tris p-anisyl phosphine,phosphine, tris 4-methoxyphenyl,tri-p-anisylphosphine,tris p-methoxyphenyl phosphine,tris 4-methoxyphenyl phosphane,phosphine, tris p-methoxyphenyl,tri 4-methoxyphenyl phosphine,tri p-methoxyphenyl phosphine
IUPAC Name	tris(4-methoxyphenyl)phosphane
InChI Key	UYUUAUOYLFIRJG-UHFFFAOYSA-N
Molecular Formula	C₂₁H₂₁O₃P

2,481

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1-Bromo-3,5-dichlorobenzene, 97%

CAS: 19752-55-7 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.894 MDL Number: MFCD00000584 InChI Key: DZHFFMWJXJBBRG-UHFFFAOYSA-N Synonym: 3,5-dichlorobromobenzene,benzene, 1-bromo-3,5-dichloro,1-bromo-3,5-dichloro-benzene,3,5-dichloro bromobenzene,3,5-dichloro-1-bromobenzene,attercop-chm at113311,maybridge1_000881,pubchem3612,acmc-209f1a PubChem CID: 29766 IUPAC Name: 1-bromo-3,5-dichlorobenzene SMILES: C1=C(C=C(C=C1Cl)Br)Cl

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Specifications

PubChem CID	29766
CAS	19752-55-7
Molecular Weight (g/mol)	225.894
MDL Number	MFCD00000584
SMILES	C1=C(C=C(C=C1Cl)Br)Cl
Synonym	3,5-dichlorobromobenzene,benzene, 1-bromo-3,5-dichloro,1-bromo-3,5-dichloro-benzene,3,5-dichloro bromobenzene,3,5-dichloro-1-bromobenzene,attercop-chm at113311,maybridge1_000881,pubchem3612,acmc-209f1a
IUPAC Name	1-bromo-3,5-dichlorobenzene
InChI Key	DZHFFMWJXJBBRG-UHFFFAOYSA-N
Molecular Formula	C6H3BrCl2

2,482

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3,4,5-Trimethoxyphenylacetic acid, 99%

CAS: 951-82-6 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.228 MDL Number: MFCD00004336 InChI Key: DDSJXCGGOXKGSJ-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy PubChem CID: 70372 IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetic acid SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)O

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Specifications

PubChem CID	70372
CAS	951-82-6
Molecular Weight (g/mol)	226.228
MDL Number	MFCD00004336
SMILES	COC1=CC(=CC(=C1OC)OC)CC(=O)O
Synonym	3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy
IUPAC Name	2-(3,4,5-trimethoxyphenyl)acetic acid
InChI Key	DDSJXCGGOXKGSJ-UHFFFAOYSA-N
Molecular Formula	C11H14O5

2,483

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2-Fluorophenylhydrazine hydrochloride, 98%

CAS: 2924-15-4 Molecular Formula: C6H8ClFN2 Molecular Weight (g/mol): 162.592 MDL Number: MFCD00012927 InChI Key: VFZYLSYYMHFPSY-UHFFFAOYSA-N Synonym: 2-fluorophenylhydrazine hydrochloride,2-fluorophenyl hydrazine hydrochloride,2-fluorophenylhydrazine hcl,2-fluorophenylhydrazinehydrochloride,o-fluorophenylhydrazine hydrochloride,hydrazine, 2-fluorophenyl-, monohydrochloride,1-2-fluorophenyl hydrazine hydrochloride,pubchem3347,c6h7fn2.hcl,acmc-209h7m PubChem CID: 2723910 IUPAC Name: (2-fluorophenyl)hydrazine;hydrochloride SMILES: C1=CC=C(C(=C1)NN)F.Cl

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Specifications

PubChem CID	2723910
CAS	2924-15-4
Molecular Weight (g/mol)	162.592
MDL Number	MFCD00012927
SMILES	C1=CC=C(C(=C1)NN)F.Cl
Synonym	2-fluorophenylhydrazine hydrochloride,2-fluorophenyl hydrazine hydrochloride,2-fluorophenylhydrazine hcl,2-fluorophenylhydrazinehydrochloride,o-fluorophenylhydrazine hydrochloride,hydrazine, 2-fluorophenyl-, monohydrochloride,1-2-fluorophenyl hydrazine hydrochloride,pubchem3347,c6h7fn2.hcl,acmc-209h7m
IUPAC Name	(2-fluorophenyl)hydrazine;hydrochloride
InChI Key	VFZYLSYYMHFPSY-UHFFFAOYSA-N
Molecular Formula	C6H8ClFN2

2,484

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Dioctyl Phthalate, 98%, Spectrum™ Chemical

CAS: 117-81-7

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Specifications

CAS	117-81-7

2,485

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3-Chlorophenylhydrazine hydrochloride, 97%

CAS: 2312-23-4 Molecular Formula: C₆H₇ClN₂·HCl Molecular Weight (g/mol): 179.05 MDL Number: MFCD00012935 InChI Key: CRRIAWUJYMLJOE-UHFFFAOYSA-N Synonym: 3-chlorophenylhydrazine hydrochloride,3-chlorophenyl hydrazine hydrochloride,3-chloro phenyl hydrazine hydrochloride,m-chlorophenylhydrazine hydrochloride,hydrazine, 3-chlorophenyl-, monohydrochloride,1-3-chlorophenyl hydrazine hydrochloride,m-chlorophenylhydrazine hcl,3-chlorophenyl hydrazine hydrochloride 1:1,3-chlorophenyl hydrazinehydrochloride PubChem CID: 75331 IUPAC Name: (3-chlorophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC(=C1)Cl)NN.Cl

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Specifications

PubChem CID	75331
CAS	2312-23-4
Molecular Weight (g/mol)	179.05
MDL Number	MFCD00012935
SMILES	C1=CC(=CC(=C1)Cl)NN.Cl
Synonym	3-chlorophenylhydrazine hydrochloride,3-chlorophenyl hydrazine hydrochloride,3-chloro phenyl hydrazine hydrochloride,m-chlorophenylhydrazine hydrochloride,hydrazine, 3-chlorophenyl-, monohydrochloride,1-3-chlorophenyl hydrazine hydrochloride,m-chlorophenylhydrazine hcl,3-chlorophenyl hydrazine hydrochloride 1:1,3-chlorophenyl hydrazinehydrochloride
IUPAC Name	(3-chlorophenyl)hydrazine;hydrochloride
InChI Key	CRRIAWUJYMLJOE-UHFFFAOYSA-N
Molecular Formula	C₆H₇ClN₂·HCl

2,486

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4-Nitro-3-(trifluoromethyl)aniline, 98%

CAS: 393-11-3 Molecular Formula: C7H5F3N2O2 Molecular Weight (g/mol): 206.12 MDL Number: MFCD00014717 InChI Key: UTKUVRNVYFTEHF-UHFFFAOYSA-N Synonym: 4-nitro-3-trifluoromethyl aniline,5-amino-2-nitrobenzotrifluoride,3-amino-6-nitrobenzotrifluoride,benzenamine, 4-nitro-3-trifluoromethyl,3-trifluoromethyl-4-nitroaniline,2-nitro-5-amino benzotrifluoride,3-trifluoromethyl-4-nitroanilide,flu-1,3-amino-6-nitro benzotrifluoride PubChem CID: 94955 IUPAC Name: 4-nitro-3-(trifluoromethyl)aniline SMILES: NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O

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Specifications

PubChem CID	94955
CAS	393-11-3
Molecular Weight (g/mol)	206.12
MDL Number	MFCD00014717
SMILES	NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O
Synonym	4-nitro-3-trifluoromethyl aniline,5-amino-2-nitrobenzotrifluoride,3-amino-6-nitrobenzotrifluoride,benzenamine, 4-nitro-3-trifluoromethyl,3-trifluoromethyl-4-nitroaniline,2-nitro-5-amino benzotrifluoride,3-trifluoromethyl-4-nitroanilide,flu-1,3-amino-6-nitro benzotrifluoride
IUPAC Name	4-nitro-3-(trifluoromethyl)aniline
InChI Key	UTKUVRNVYFTEHF-UHFFFAOYSA-N
Molecular Formula	C7H5F3N2O2

2,487

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3-Methoxy-2-nitrobenzaldehyde, 97%

CAS: 53055-05-3 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007135 InChI Key: GDTUACILWWLIJF-UHFFFAOYSA-N PubChem CID: 98867 IUPAC Name: 3-methoxy-2-nitrobenzaldehyde SMILES: COC1=CC=CC(C=O)=C1[N+]([O-])=O

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Specifications

PubChem CID	98867
CAS	53055-05-3
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007135
SMILES	COC1=CC=CC(C=O)=C1[N+]([O-])=O
IUPAC Name	3-methoxy-2-nitrobenzaldehyde
InChI Key	GDTUACILWWLIJF-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

2,488

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1-(3-Fluorophenyl)-2-thiourea, 98%, Thermo Scientific™

CAS: 458-05-9 Molecular Formula: C₇H₇FN₂S Molecular Weight (g/mol): 170.21 InChI Key: YKOBLHQALWQKTC-UHFFFAOYSA-N Synonym: 1-3-fluorophenyl-2-thiourea,1-3-fluorophenyl thiourea,3-fluorophenyl thiourea,n-3-fluorophenyl thiourea,amino 3-fluorophenyl amino methane-1-thione,acmc-20apbn,1-m-fluorophenyl thiourea,3-fluoro-phenyl-thiourea PubChem CID: 2734799 IUPAC Name: (3-fluorophenyl)thiourea SMILES: C1=CC(=CC(=C1)F)NC(=S)N

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Specifications

PubChem CID	2734799
CAS	458-05-9
Molecular Weight (g/mol)	170.21
SMILES	C1=CC(=CC(=C1)F)NC(=S)N
Synonym	1-3-fluorophenyl-2-thiourea,1-3-fluorophenyl thiourea,3-fluorophenyl thiourea,n-3-fluorophenyl thiourea,amino 3-fluorophenyl amino methane-1-thione,acmc-20apbn,1-m-fluorophenyl thiourea,3-fluoro-phenyl-thiourea
IUPAC Name	(3-fluorophenyl)thiourea
InChI Key	YKOBLHQALWQKTC-UHFFFAOYSA-N
Molecular Formula	C₇H₇FN₂S

2,489

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(R)-(+)-1-(4-Bromophenyl)ethylamine, ChiPros, 99%, ee 98%

CAS: 45791-36-4 Molecular Formula: C8H10BrN Molecular Weight (g/mol): 200.079 MDL Number: MFCD00066025 InChI Key: SOZMSEPDYJGBEK-ZCFIWIBFSA-N Synonym: r-1-4-bromophenyl ethylamine,r-+-1-4-bromophenyl ethylamine,r-1-4-bromophenyl ethanamine,1r-1-4-bromophenyl ethanamine,1r-1-4-bromophenyl ethan-1-amine,r-1-4-bromophenyl-ethylamine,r-4-bromo-alpha-methylbenzylamine,r-+-4-bromo a-methylbenzylamine,p-bromo-a-methylbenzylamine,pubchem14234 PubChem CID: 853000 IUPAC Name: (1R)-1-(4-bromophenyl)ethanamine SMILES: CC(C1=CC=C(C=C1)Br)N

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Specifications

PubChem CID	853000
CAS	45791-36-4
Molecular Weight (g/mol)	200.079
MDL Number	MFCD00066025
SMILES	CC(C1=CC=C(C=C1)Br)N
Synonym	r-1-4-bromophenyl ethylamine,r-+-1-4-bromophenyl ethylamine,r-1-4-bromophenyl ethanamine,1r-1-4-bromophenyl ethanamine,1r-1-4-bromophenyl ethan-1-amine,r-1-4-bromophenyl-ethylamine,r-4-bromo-alpha-methylbenzylamine,r-+-4-bromo a-methylbenzylamine,p-bromo-a-methylbenzylamine,pubchem14234
IUPAC Name	(1R)-1-(4-bromophenyl)ethanamine
InChI Key	SOZMSEPDYJGBEK-ZCFIWIBFSA-N
Molecular Formula	C8H10BrN

2,490

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4-Methylbenzophenone, 97%

CAS: 134-84-9 Molecular Formula: C₁₄H₁₂O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00008553 InChI Key: WXPWZZHELZEVPO-UHFFFAOYSA-N Synonym: 4-methylbenzophenone,phenyl p-tolyl methanone,4-methylphenyl phenyl methanone,p-methylbenzophenone,methanone, 4-methylphenyl phenyl,p-benzoyltoluene,4-methyl benzophenone,phenyl p-tolyl ketone,benzophenone, 4-methyl,p-benzophenone, methyl PubChem CID: 8652 IUPAC Name: (4-methylphenyl)-phenylmethanone SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

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Specifications

PubChem CID	8652
CAS	134-84-9
Molecular Weight (g/mol)	196.25
MDL Number	MFCD00008553
SMILES	CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym	4-methylbenzophenone,phenyl p-tolyl methanone,4-methylphenyl phenyl methanone,p-methylbenzophenone,methanone, 4-methylphenyl phenyl,p-benzoyltoluene,4-methyl benzophenone,phenyl p-tolyl ketone,benzophenone, 4-methyl,p-benzophenone, methyl
IUPAC Name	(4-methylphenyl)-phenylmethanone
InChI Key	WXPWZZHELZEVPO-UHFFFAOYSA-N
Molecular Formula	C₁₄H₁₂O

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