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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1,531 – 1,545 of 57,366 results

1,531

Cholesteryl benzoate, 98%

CAS: 604-32-0 Molecular Formula: C34H50O2 Molecular Weight (g/mol): 490.77 MDL Number: MFCD00003635 InChI Key: UVZUFUGNHDDLRQ-UHFFFAOYNA-N Synonym: cholesteryl benzoate,cholesterol benzoate,3b-benzoyloxy cholest-5-ene,unii-n09h13shlb,n09h13shlb,cholest-5-ene-3-beta-yl benzoate,cholest-5-en-3-ol 3.beta.-, benzoate,5-cholesten-3.beta.-ol benzoate,cholest-5-en-3-ol 3beta-, benzoate PubChem CID: 2723613 SMILES: CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1=CC=CC=C1

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PubChem CID	2723613
CAS	604-32-0
Molecular Weight (g/mol)	490.77
MDL Number	MFCD00003635
SMILES	CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1=CC=CC=C1
Synonym	cholesteryl benzoate,cholesterol benzoate,3b-benzoyloxy cholest-5-ene,unii-n09h13shlb,n09h13shlb,cholest-5-ene-3-beta-yl benzoate,cholest-5-en-3-ol 3.beta.-, benzoate,5-cholesten-3.beta.-ol benzoate,cholest-5-en-3-ol 3beta-, benzoate
InChI Key	UVZUFUGNHDDLRQ-UHFFFAOYNA-N
Molecular Formula	C34H50O2

1,532

2,6-Dimethoxybenzoic acid, 99%

CAS: 1466-76-8 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002437 InChI Key: MBIZFBDREVRUHY-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 PubChem CID: 15109 IUPAC Name: 2,6-dimethoxybenzoic acid SMILES: COC1=CC=CC(OC)=C1C(O)=O

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PubChem CID	15109
CAS	1466-76-8
Molecular Weight (g/mol)	182.18
MDL Number	MFCD00002437
SMILES	COC1=CC=CC(OC)=C1C(O)=O
Synonym	benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043
IUPAC Name	2,6-dimethoxybenzoic acid
InChI Key	MBIZFBDREVRUHY-UHFFFAOYSA-N
Molecular Formula	C9H10O4

1,533

3,5-Dibromo-4-methylaniline, 99%

CAS: 13194-73-5 Molecular Formula: C7H7Br2N Molecular Weight (g/mol): 264.948 MDL Number: MFCD00151806 InChI Key: AQZDIKCNODUMNY-UHFFFAOYSA-N PubChem CID: 7015779 IUPAC Name: 3,5-dibromo-4-methylaniline SMILES: CC1=C(C=C(C=C1Br)N)Br

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Specifications

PubChem CID	7015779
CAS	13194-73-5
Molecular Weight (g/mol)	264.948
MDL Number	MFCD00151806
SMILES	CC1=C(C=C(C=C1Br)N)Br
IUPAC Name	3,5-dibromo-4-methylaniline
InChI Key	AQZDIKCNODUMNY-UHFFFAOYSA-N
Molecular Formula	C7H7Br2N

1,534

3-Bromo-4-methylbenzoic acid, 98+%

CAS: 7697-26-9 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00002488 InChI Key: ZFJOMUKPDWNRFI-UHFFFAOYSA-N Synonym: 3-bromo-4-methylbenzoicacid,3-bromo-p-toluic acid,benzoic acid, 3-bromo-4-methyl,3-bromo-4-methyl-benzoic acid,bromo-p-toluic acid,pubchem3806,bromo-para-toluic acid,3-bromo4-methylbenzoic acid,acmc-1bg95,akos bbb/219 PubChem CID: 82130 IUPAC Name: 3-bromo-4-methylbenzoic acid SMILES: CC1=CC=C(C=C1Br)C(O)=O

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Specifications

PubChem CID	82130
CAS	7697-26-9
Molecular Weight (g/mol)	215.05
MDL Number	MFCD00002488
SMILES	CC1=CC=C(C=C1Br)C(O)=O
Synonym	3-bromo-4-methylbenzoicacid,3-bromo-p-toluic acid,benzoic acid, 3-bromo-4-methyl,3-bromo-4-methyl-benzoic acid,bromo-p-toluic acid,pubchem3806,bromo-para-toluic acid,3-bromo4-methylbenzoic acid,acmc-1bg95,akos bbb/219
IUPAC Name	3-bromo-4-methylbenzoic acid
InChI Key	ZFJOMUKPDWNRFI-UHFFFAOYSA-N
Molecular Formula	C8H7BrO2

1,535

4-Bromoanisole, 98%

CAS: 104-92-7 Molecular Formula: C₇H₇BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000097 InChI Key: QJPJQTDYNZXKQF-UHFFFAOYSA-N Synonym: 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide PubChem CID: 7730 ChEBI: CHEBI:47257 IUPAC Name: 1-bromo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Br

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PubChem CID	7730
CAS	104-92-7
Molecular Weight (g/mol)	187.04
ChEBI	CHEBI:47257
MDL Number	MFCD00000097
SMILES	COC1=CC=C(C=C1)Br
Synonym	4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide
IUPAC Name	1-bromo-4-methoxybenzene
InChI Key	QJPJQTDYNZXKQF-UHFFFAOYSA-N
Molecular Formula	C₇H₇BrO

1,536

3-Bromofluorobenzene, 99%

CAS: 1073-06-9 Molecular Formula: C₆H₄BrF Molecular Weight (g/mol): 175 MDL Number: MFCD00000326 InChI Key: QDFKKJYEIFBEFC-UHFFFAOYSA-N Synonym: 3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo PubChem CID: 14082 IUPAC Name: 1-bromo-3-fluorobenzene SMILES: C1=CC(=CC(=C1)Br)F

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PubChem CID	14082
CAS	1073-06-9
Molecular Weight (g/mol)	175
MDL Number	MFCD00000326
SMILES	C1=CC(=CC(=C1)Br)F
Synonym	3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo
IUPAC Name	1-bromo-3-fluorobenzene
InChI Key	QDFKKJYEIFBEFC-UHFFFAOYSA-N
Molecular Formula	C₆H₄BrF

1,537

4-Phenoxybenzaldehyde, 98%

CAS: 67-36-7 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00003383 InChI Key: QWLHJVDRPZNVBS-UHFFFAOYSA-N Synonym: p-phenoxybenzaldehyde,4-formyldiphenyl ether,benzaldehyde, p-phenoxy,benzaldehyde, 4-phenoxy,4-phenoxy-benzaldehyde,4-phenyloxy benzaldehyde,diphenyl ether 4-carboxaldehyde,zlchem 548,4-formyldiphenylether,4-phenoxy benzaldehyde PubChem CID: 66139 IUPAC Name: 4-phenoxybenzaldehyde SMILES: O=CC1=CC=C(OC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	66139
CAS	67-36-7
Molecular Weight (g/mol)	198.22
MDL Number	MFCD00003383
SMILES	O=CC1=CC=C(OC2=CC=CC=C2)C=C1
Synonym	p-phenoxybenzaldehyde,4-formyldiphenyl ether,benzaldehyde, p-phenoxy,benzaldehyde, 4-phenoxy,4-phenoxy-benzaldehyde,4-phenyloxy benzaldehyde,diphenyl ether 4-carboxaldehyde,zlchem 548,4-formyldiphenylether,4-phenoxy benzaldehyde
IUPAC Name	4-phenoxybenzaldehyde
InChI Key	QWLHJVDRPZNVBS-UHFFFAOYSA-N
Molecular Formula	C13H10O2

1,538

1,3,5-Tris(4-bromophenyl)benzene, 97%

CAS: 7511-49-1 Molecular Formula: C24H15Br3 Molecular Weight (g/mol): 543.096 MDL Number: MFCD00362911 InChI Key: HJQRITCAXSBOPC-UHFFFAOYSA-N Synonym: 1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1' PubChem CID: 232761 IUPAC Name: 1,3,5-tris(4-bromophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br

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Specifications

PubChem CID	232761
CAS	7511-49-1
Molecular Weight (g/mol)	543.096
MDL Number	MFCD00362911
SMILES	C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br
Synonym	1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1'
IUPAC Name	1,3,5-tris(4-bromophenyl)benzene
InChI Key	HJQRITCAXSBOPC-UHFFFAOYSA-N
Molecular Formula	C24H15Br3

1,539

2,5-Dimethylbenzaldehyde, 98%

CAS: 5779-94-2 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00003342 InChI Key: SMUVABOERCFKRW-UHFFFAOYSA-N PubChem CID: 22015 IUPAC Name: 2,5-dimethylbenzaldehyde SMILES: CC1=CC=C(C)C(C=O)=C1

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PubChem CID	22015
CAS	5779-94-2
Molecular Weight (g/mol)	134.18
MDL Number	MFCD00003342
SMILES	CC1=CC=C(C)C(C=O)=C1
IUPAC Name	2,5-dimethylbenzaldehyde
InChI Key	SMUVABOERCFKRW-UHFFFAOYSA-N
Molecular Formula	C9H10O

1,540

4,4'-Dihydroxybenzophenone, 97%

CAS: 611-99-4 Molecular Formula: C₁₃H₁₀O₃ Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002358 InChI Key: RXNYJUSEXLAVNQ-UHFFFAOYSA-N Synonym: 4,4'-dihydroxybenzophenone,bis 4-hydroxyphenyl methanone,hbp ketone,methanone, bis 4-hydroxyphenyl,bis 4-hydroxyphenyl ketone,4,4'-dihydoxy-benzophenone,bis p-hydroxy benzophenone,p,p'-dihydroxybenzophenone,4,4'-dihydroxydiphenyl ketone,benzophenone, 4,4'-dihydroxy PubChem CID: 69150 ChEBI: CHEBI:34365 IUPAC Name: bis(4-hydroxyphenyl)methanone SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)O

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PubChem CID	69150
CAS	611-99-4
Molecular Weight (g/mol)	214.22
ChEBI	CHEBI:34365
MDL Number	MFCD00002358
SMILES	C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)O
Synonym	4,4'-dihydroxybenzophenone,bis 4-hydroxyphenyl methanone,hbp ketone,methanone, bis 4-hydroxyphenyl,bis 4-hydroxyphenyl ketone,4,4'-dihydoxy-benzophenone,bis p-hydroxy benzophenone,p,p'-dihydroxybenzophenone,4,4'-dihydroxydiphenyl ketone,benzophenone, 4,4'-dihydroxy
IUPAC Name	bis(4-hydroxyphenyl)methanone
InChI Key	RXNYJUSEXLAVNQ-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₀O₃

1,541

4-Bromo-3,5-dimethoxybenzoic acid, 98%

CAS: 56518-42-4 Molecular Formula: C9H8BrO4 Molecular Weight (g/mol): 260.06 MDL Number: MFCD01632140 InChI Key: JNFZULSIYYVRJO-UHFFFAOYSA-M Synonym: benzoic acid, 4-bromo-3,5-dimethoxy,zlchem 1334,acmc-1az7r,jnfzulsiyyvrjo-uhfffaoysa,3,5-dimethoxy-4-bromobenzoic acid,4-bromo-3,5-dimethoxybenzoic acid PubChem CID: 2774026 IUPAC Name: 4-bromo-3,5-dimethoxybenzoic acid SMILES: COC1=CC(=CC(OC)=C1Br)C([O-])=O

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Specifications

PubChem CID	2774026
CAS	56518-42-4
Molecular Weight (g/mol)	260.06
MDL Number	MFCD01632140
SMILES	COC1=CC(=CC(OC)=C1Br)C([O-])=O
Synonym	benzoic acid, 4-bromo-3,5-dimethoxy,zlchem 1334,acmc-1az7r,jnfzulsiyyvrjo-uhfffaoysa,3,5-dimethoxy-4-bromobenzoic acid,4-bromo-3,5-dimethoxybenzoic acid
IUPAC Name	4-bromo-3,5-dimethoxybenzoic acid
InChI Key	JNFZULSIYYVRJO-UHFFFAOYSA-M
Molecular Formula	C9H8BrO4

1,542

3-(Chloromethyl)benzoic acid, 97%, Thermo Scientific Chemicals

CAS: 31719-77-4 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00191922 InChI Key: PBSUMBYSVFTMNG-UHFFFAOYSA-N Synonym: 3-chloromethyl benzoic acid,alpha-chloro-m-toluic acid,3-chloromethyl-benzoic acid,benzoic acid, 3-chloromethyl,pubchem7446,acmc-209hog,3-carboxybenzyl chloride,3-chloromethyl benzoicacid,ksc497k4l,chembl67150 PubChem CID: 241752 IUPAC Name: 3-(chloromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC(CCl)=C1

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Specifications

PubChem CID	241752
CAS	31719-77-4
Molecular Weight (g/mol)	170.59
MDL Number	MFCD00191922
SMILES	OC(=O)C1=CC=CC(CCl)=C1
Synonym	3-chloromethyl benzoic acid,alpha-chloro-m-toluic acid,3-chloromethyl-benzoic acid,benzoic acid, 3-chloromethyl,pubchem7446,acmc-209hog,3-carboxybenzyl chloride,3-chloromethyl benzoicacid,ksc497k4l,chembl67150
IUPAC Name	3-(chloromethyl)benzoic acid
InChI Key	PBSUMBYSVFTMNG-UHFFFAOYSA-N
Molecular Formula	C8H7ClO2

1,543

4-Methylstyrene, 98%, stab. with 0.1% 3,5-di-tert-butylcatechol

CAS: 622-97-9 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00008621 InChI Key: JLBJTVDPSNHSKJ-UHFFFAOYSA-N Synonym: 4-methylstyrene,1-methyl-4-vinylbenzene,p-methylstyrene,4-vinyltoluene,p-vinyltoluene,benzene, 1-ethenyl-4-methyl,styrene, p-methyl,p-methyl styrene,1-p-tolylethene,para-methylstyrene PubChem CID: 12161 IUPAC Name: 1-ethenyl-4-methylbenzene SMILES: CC1=CC=C(C=C)C=C1

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Specifications

PubChem CID	12161
CAS	622-97-9
Molecular Weight (g/mol)	118.18
MDL Number	MFCD00008621
SMILES	CC1=CC=C(C=C)C=C1
Synonym	4-methylstyrene,1-methyl-4-vinylbenzene,p-methylstyrene,4-vinyltoluene,p-vinyltoluene,benzene, 1-ethenyl-4-methyl,styrene, p-methyl,p-methyl styrene,1-p-tolylethene,para-methylstyrene
IUPAC Name	1-ethenyl-4-methylbenzene
InChI Key	JLBJTVDPSNHSKJ-UHFFFAOYSA-N
Molecular Formula	C9H10

1,544

Tris(pentafluorophenyl)borane, 97%

CAS: 1109-15-5 Molecular Formula: C18BF15 Molecular Weight (g/mol): 511.98 MDL Number: MFCD00269813 InChI Key: OBAJXDYVZBHCGT-UHFFFAOYSA-N Synonym: tris pentafluorophenyl borane,tris perfluorophenyl borane,tris pentafluorophenyl boron,tris 2,3,4,5,6-pentafluorophenyl borane,unii-i3wu5e2578,tris pentafluorophenyl-borane,borane, tris pentafluorophenyl,borane, tris 2,3,4,5,6-pentafluorophenyl,perfluorotriphenylboron,zlchem 1272 PubChem CID: 582056 IUPAC Name: tris(2,3,4,5,6-pentafluorophenyl)borane SMILES: FC1=C(F)C(F)=C(B(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F

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Specifications

PubChem CID	582056
CAS	1109-15-5
Molecular Weight (g/mol)	511.98
MDL Number	MFCD00269813
SMILES	FC1=C(F)C(F)=C(B(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F
Synonym	tris pentafluorophenyl borane,tris perfluorophenyl borane,tris pentafluorophenyl boron,tris 2,3,4,5,6-pentafluorophenyl borane,unii-i3wu5e2578,tris pentafluorophenyl-borane,borane, tris pentafluorophenyl,borane, tris 2,3,4,5,6-pentafluorophenyl,perfluorotriphenylboron,zlchem 1272
IUPAC Name	tris(2,3,4,5,6-pentafluorophenyl)borane
InChI Key	OBAJXDYVZBHCGT-UHFFFAOYSA-N
Molecular Formula	C18BF15

1,545

2-Chloro-6-methylbenzoic acid, 97%

CAS: 21327-86-6 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00045799 InChI Key: CEFMMQYDPGCYMG-UHFFFAOYSA-N Synonym: 6-chloro-o-toluic acid,2-chloro-6-methyl-benzoic acid,o-toluic acid, 6-chloro,2-chloro-6-methylbenzoicacid,benzoic acid, 2-chloro-6-methyl,benzoic acid, 6-chloro-4-methyl,6-chloro-2-methylbenzoic acid,pubchem4568,chloro-6-methylbenzoic acid,2-m-tolyloxymethyl oxirane PubChem CID: 88870 IUPAC Name: 2-chloro-6-methylbenzoic acid SMILES: CC1=C(C(=CC=C1)Cl)C(=O)O

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Specifications

PubChem CID	88870
CAS	21327-86-6
Molecular Weight (g/mol)	170.592
MDL Number	MFCD00045799
SMILES	CC1=C(C(=CC=C1)Cl)C(=O)O
Synonym	6-chloro-o-toluic acid,2-chloro-6-methyl-benzoic acid,o-toluic acid, 6-chloro,2-chloro-6-methylbenzoicacid,benzoic acid, 2-chloro-6-methyl,benzoic acid, 6-chloro-4-methyl,6-chloro-2-methylbenzoic acid,pubchem4568,chloro-6-methylbenzoic acid,2-m-tolyloxymethyl oxirane
IUPAC Name	2-chloro-6-methylbenzoic acid
InChI Key	CEFMMQYDPGCYMG-UHFFFAOYSA-N
Molecular Formula	C8H7ClO2

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