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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1,606 – 1,620 of 64,662 results

1,606

3-(1-Methyl-1H-pyrazol-5-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 628297-55-2 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD09702398 InChI Key: OBOMYSVFLSMYLV-UHFFFAOYSA-N Synonym: 3-1-methyl-1h-pyrazol-5-yl benzoic acid,3-2-methylpyrazol-3-yl benzoic acid,3-1-methylpyrazol-5-yl benzoic acid,benzoicacid,3-1-methyl-1h-pyrazol-5-yl,benzoicacid, 3-1-methyl-1h-pyrazol-5-yl,benzoic acid, 3-1-methyl-1h-pyrazol-5-yl PubChem CID: 18548847 IUPAC Name: 3-(2-methylpyrazol-3-yl)benzoic acid SMILES: CN1C(=CC=N1)C2=CC(=CC=C2)C(=O)O

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Specifications

PubChem CID	18548847
CAS	628297-55-2
Molecular Weight (g/mol)	202.213
MDL Number	MFCD09702398
SMILES	CN1C(=CC=N1)C2=CC(=CC=C2)C(=O)O
Synonym	3-1-methyl-1h-pyrazol-5-yl benzoic acid,3-2-methylpyrazol-3-yl benzoic acid,3-1-methylpyrazol-5-yl benzoic acid,benzoicacid,3-1-methyl-1h-pyrazol-5-yl,benzoicacid, 3-1-methyl-1h-pyrazol-5-yl,benzoic acid, 3-1-methyl-1h-pyrazol-5-yl
IUPAC Name	3-(2-methylpyrazol-3-yl)benzoic acid
InChI Key	OBOMYSVFLSMYLV-UHFFFAOYSA-N
Molecular Formula	C11H10N2O2

1,607

1-Bromo-4-butoxybenzene, 97%, Thermo Scientific™

CAS: 39969-57-8 Molecular Formula: C10H13BrO Molecular Weight (g/mol): 229.117 MDL Number: MFCD00037100 InChI Key: BOUVKHWPQNEXTO-UHFFFAOYSA-N PubChem CID: 142395 IUPAC Name: 1-bromo-4-butoxybenzene SMILES: CCCCOC1=CC=C(C=C1)Br

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Specifications

PubChem CID	142395
CAS	39969-57-8
Molecular Weight (g/mol)	229.117
MDL Number	MFCD00037100
SMILES	CCCCOC1=CC=C(C=C1)Br
IUPAC Name	1-bromo-4-butoxybenzene
InChI Key	BOUVKHWPQNEXTO-UHFFFAOYSA-N
Molecular Formula	C10H13BrO

1,608

1-(3-Bromobenzyl)-1H-imidazole, ≥97%, Thermo Scientific™

CAS: 72459-47-3 Molecular Formula: C10H9BrN2 Molecular Weight (g/mol): 237.10 MDL Number: MFCD08271919 InChI Key: BGYZLOIBJCHCTI-UHFFFAOYSA-N Synonym: 1-3-bromobenzyl-1h-imidazole,1-3-bromophenyl methyl imidazole,1-3-bromobenzyl imidazole,1-3-bromophenyl methyl-1h-imidazole,1h-imidazole,1-3-bromophenyl methyl,d07jmo,3-bromophenyl methyl imidazole PubChem CID: 10220337 IUPAC Name: 1-[(3-bromophenyl)methyl]imidazole SMILES: BrC1=CC=CC(CN2C=CN=C2)=C1

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Specifications

PubChem CID	10220337
CAS	72459-47-3
Molecular Weight (g/mol)	237.10
MDL Number	MFCD08271919
SMILES	BrC1=CC=CC(CN2C=CN=C2)=C1
Synonym	1-3-bromobenzyl-1h-imidazole,1-3-bromophenyl methyl imidazole,1-3-bromobenzyl imidazole,1-3-bromophenyl methyl-1h-imidazole,1h-imidazole,1-3-bromophenyl methyl,d07jmo,3-bromophenyl methyl imidazole
IUPAC Name	1-[(3-bromophenyl)methyl]imidazole
InChI Key	BGYZLOIBJCHCTI-UHFFFAOYSA-N
Molecular Formula	C10H9BrN2

1,609

2-(4-Bromophenoxy)-6-methylpyrazine, 97%, Thermo Scientific™

CAS: 915707-62-9 Molecular Formula: C11H9BrN2O Molecular Weight (g/mol): 265.11 MDL Number: MFCD09702408 InChI Key: VJZHVPRWFQZLGM-UHFFFAOYSA-N Synonym: 2-4-bromophenoxy-6-methylpyrazine,pyrazine, 2-4-bromophenoxy-6-methyl,4-bromo-1-6-methylpyrazin-2-yloxy benzene PubChem CID: 24229692 IUPAC Name: 2-(4-bromophenoxy)-6-methylpyrazine SMILES: CC1=CN=CC(=N1)OC2=CC=C(C=C2)Br

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Specifications

PubChem CID	24229692
CAS	915707-62-9
Molecular Weight (g/mol)	265.11
MDL Number	MFCD09702408
SMILES	CC1=CN=CC(=N1)OC2=CC=C(C=C2)Br
Synonym	2-4-bromophenoxy-6-methylpyrazine,pyrazine, 2-4-bromophenoxy-6-methyl,4-bromo-1-6-methylpyrazin-2-yloxy benzene
IUPAC Name	2-(4-bromophenoxy)-6-methylpyrazine
InChI Key	VJZHVPRWFQZLGM-UHFFFAOYSA-N
Molecular Formula	C11H9BrN2O

1,610

Selectophore™ Dipentyl phthalate, 99.0%, MilliporeSigma™ Supelco™

CAS: 131-18-0 Molecular Formula: C18H26O4 Molecular Weight (g/mol): 306.40 MDL Number: MFCD00041934 InChI Key: IPKKHRVROFYTEK-UHFFFAOYSA-N IUPAC Name: 1,2-dipentyl benzene-1,2-dicarboxylate SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC

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Specifications

CAS	131-18-0
Molecular Weight (g/mol)	306.40
MDL Number	MFCD00041934
SMILES	CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
IUPAC Name	1,2-dipentyl benzene-1,2-dicarboxylate
InChI Key	IPKKHRVROFYTEK-UHFFFAOYSA-N
Molecular Formula	C18H26O4

1,611

1-(4-Bromophenyl)octane, 97%, Thermo Scientific™

CAS: 51554-93-9 Molecular Formula: C14H21Br Molecular Weight (g/mol): 269.226 MDL Number: MFCD00038348 InChI Key: OOZQSVXPBCINJF-UHFFFAOYSA-N Synonym: 1-4-bromophenyl octane,1-bromo-4-n-octylbenzene,p-octylbromobenzene,p-bromophenyloctane,4-n-octylbromobenzene,1-p-bromophenyl octane,4-bromooctylbenzene,4-oct-1-yl bromobenzene,benzene, 1-bromo-4-octyl,4-bromo-1-octylbenzene PubChem CID: 142854 IUPAC Name: 1-bromo-4-octylbenzene SMILES: CCCCCCCCC1=CC=C(C=C1)Br

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Specifications

PubChem CID	142854
CAS	51554-93-9
Molecular Weight (g/mol)	269.226
MDL Number	MFCD00038348
SMILES	CCCCCCCCC1=CC=C(C=C1)Br
Synonym	1-4-bromophenyl octane,1-bromo-4-n-octylbenzene,p-octylbromobenzene,p-bromophenyloctane,4-n-octylbromobenzene,1-p-bromophenyl octane,4-bromooctylbenzene,4-oct-1-yl bromobenzene,benzene, 1-bromo-4-octyl,4-bromo-1-octylbenzene
IUPAC Name	1-bromo-4-octylbenzene
InChI Key	OOZQSVXPBCINJF-UHFFFAOYSA-N
Molecular Formula	C14H21Br

1,612

4-(1H-pyrazol-1-ylmethyl)benzaldehyde, Thermo Scientific™

CAS: 887922-90-9 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD08059835 InChI Key: FAURNROAEFQBHX-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-ylmethyl benzaldehyde,4-pyrazol-1-ylmethyl-benzaldehyde,4-1h-pyrazol-1-yl methyl benzaldehyde,4-pyrazol-1-ylmethyl benzaldehyde,4-pyrazolylmethyl benzaldehyde,4-1h-pyrazol-1-ylmethyl-benzaldehyde,benzaldehyde,4-1h-pyrazol-1-ylmethyl PubChem CID: 18525876 IUPAC Name: 4-(pyrazol-1-ylmethyl)benzaldehyde SMILES: O=CC1=CC=C(CN2C=CC=N2)C=C1

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Specifications

PubChem CID	18525876
CAS	887922-90-9
Molecular Weight (g/mol)	186.21
MDL Number	MFCD08059835
SMILES	O=CC1=CC=C(CN2C=CC=N2)C=C1
Synonym	4-1h-pyrazol-1-ylmethyl benzaldehyde,4-pyrazol-1-ylmethyl-benzaldehyde,4-1h-pyrazol-1-yl methyl benzaldehyde,4-pyrazol-1-ylmethyl benzaldehyde,4-pyrazolylmethyl benzaldehyde,4-1h-pyrazol-1-ylmethyl-benzaldehyde,benzaldehyde,4-1h-pyrazol-1-ylmethyl
IUPAC Name	4-(pyrazol-1-ylmethyl)benzaldehyde
InChI Key	FAURNROAEFQBHX-UHFFFAOYSA-N
Molecular Formula	C11H10N2O

1,613

4-Pentylbenzoic acid, 97%, Thermo Scientific™

CAS: 26311-45-5 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00002572 InChI Key: CWYNKKGQJYAHQG-UHFFFAOYSA-N Synonym: benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid PubChem CID: 33479 IUPAC Name: 4-pentylbenzoic acid SMILES: CCCCCC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	33479
CAS	26311-45-5
Molecular Weight (g/mol)	192.258
MDL Number	MFCD00002572
SMILES	CCCCCC1=CC=C(C=C1)C(=O)O
Synonym	benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid
IUPAC Name	4-pentylbenzoic acid
InChI Key	CWYNKKGQJYAHQG-UHFFFAOYSA-N
Molecular Formula	C12H16O2

1,614

4-Pyrimidin-2-ylbenzoic acid, 97%, Thermo Scientific™

CAS: 199678-12-1 Molecular Formula: C11H8N2O2 Molecular Weight (g/mol): 200.197 MDL Number: MFCD01318668 InChI Key: WNDAEOTYLPWXPN-UHFFFAOYSA-N Synonym: 4-pyrimidin-2-yl-benzoic acid,4-pyrimidin-2-yl benzoic acid,4-2-pyrimidinyl benzoic acid,benzoic acid, 4-2-pyrimidinyl,benzoic acid, 4-2-pyrimidinyl-9ci,akos bar-2339,pubchem15861,acmc-1c8kl,4-pyrimidin-2-yl-benzoicacid PubChem CID: 1514324 IUPAC Name: 4-pyrimidin-2-ylbenzoic acid SMILES: C1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

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Specifications

PubChem CID	1514324
CAS	199678-12-1
Molecular Weight (g/mol)	200.197
MDL Number	MFCD01318668
SMILES	C1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O
Synonym	4-pyrimidin-2-yl-benzoic acid,4-pyrimidin-2-yl benzoic acid,4-2-pyrimidinyl benzoic acid,benzoic acid, 4-2-pyrimidinyl,benzoic acid, 4-2-pyrimidinyl-9ci,akos bar-2339,pubchem15861,acmc-1c8kl,4-pyrimidin-2-yl-benzoicacid
IUPAC Name	4-pyrimidin-2-ylbenzoic acid
InChI Key	WNDAEOTYLPWXPN-UHFFFAOYSA-N
Molecular Formula	C11H8N2O2

1,615

5-(2-Bromophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole, ≥97%, Thermo Scientific™

CAS: 906352-89-4 Molecular Formula: C11H8BrF3N2 Molecular Weight (g/mol): 305.098 MDL Number: MFCD09817512 InChI Key: UKDUPCWWWMHDRH-UHFFFAOYSA-N Synonym: 5-2-bromophenyl-1-methyl-3-trifluoromethyl-1h-pyrazole,5-2-bromophenyl-1-methyl-3-trifluoromethyl pyrazole PubChem CID: 24229660 IUPAC Name: 5-(2-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazole SMILES: CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2Br

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Specifications

PubChem CID	24229660
CAS	906352-89-4
Molecular Weight (g/mol)	305.098
MDL Number	MFCD09817512
SMILES	CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2Br
Synonym	5-2-bromophenyl-1-methyl-3-trifluoromethyl-1h-pyrazole,5-2-bromophenyl-1-methyl-3-trifluoromethyl pyrazole
IUPAC Name	5-(2-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
InChI Key	UKDUPCWWWMHDRH-UHFFFAOYSA-N
Molecular Formula	C11H8BrF3N2

1,616

3-(3-Bromophenyl)-5-methyl-1,2,4-oxadiazole, ≥97%, Thermo Scientific™

CAS: 160377-57-1 Molecular Formula: C9H7BrN2O Molecular Weight (g/mol): 239.072 MDL Number: MFCD08087563 InChI Key: GTYLSVIVKRJHIQ-UHFFFAOYSA-N Synonym: 3-3-bromophenyl-5-methyl-1,2,4-oxadiazole,1,2,4-oxadiazole, 3-3-bromophenyl-5-methyl,acmc-1c5gb,chembrdg-bb 9035421,3-3-bromophenyl-5-methyl-1,2,4-oxadiazol,3-3-bromophenyl-5-methyl-1,2,4 oxadiazole,3-3-bromophenyl-5-methyl-1,2,4-oxadiazole saltdata: free PubChem CID: 8895139 IUPAC Name: 3-(3-bromophenyl)-5-methyl-1,2,4-oxadiazole SMILES: CC1=NC(=NO1)C2=CC(=CC=C2)Br

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Specifications

PubChem CID	8895139
CAS	160377-57-1
Molecular Weight (g/mol)	239.072
MDL Number	MFCD08087563
SMILES	CC1=NC(=NO1)C2=CC(=CC=C2)Br
Synonym	3-3-bromophenyl-5-methyl-1,2,4-oxadiazole,1,2,4-oxadiazole, 3-3-bromophenyl-5-methyl,acmc-1c5gb,chembrdg-bb 9035421,3-3-bromophenyl-5-methyl-1,2,4-oxadiazol,3-3-bromophenyl-5-methyl-1,2,4 oxadiazole,3-3-bromophenyl-5-methyl-1,2,4-oxadiazole saltdata: free
IUPAC Name	3-(3-bromophenyl)-5-methyl-1,2,4-oxadiazole
InChI Key	GTYLSVIVKRJHIQ-UHFFFAOYSA-N
Molecular Formula	C9H7BrN2O

1,617

2-(4-bromophenyl)-5-methyl-1,3,4-oxadiazole, Thermo Scientific™

CAS: 41421-03-8 Molecular Formula: C9H7BrN2O Molecular Weight (g/mol): 239.07 MDL Number: MFCD00491620 InChI Key: PQSCYRJMPVYVKU-UHFFFAOYSA-N Synonym: 2-4-bromophenyl-5-methyl-1,3,4-oxadiazole,1,3,4-oxadiazole, 2-4-bromophenyl-5-methyl,2-4-bromo-phenyl-5-methyl-1,3,4 oxadiazole,2-4-bromophenyl-5-methyl-1,3,4 oxadiazole,2-4-bromo-phenyl-5-methyl-1,3,4 oxadiazo le PubChem CID: 540693 IUPAC Name: 2-(4-bromophenyl)-5-methyl-1,3,4-oxadiazole SMILES: CC1=NN=C(O1)C1=CC=C(Br)C=C1

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Specifications

PubChem CID	540693
CAS	41421-03-8
Molecular Weight (g/mol)	239.07
MDL Number	MFCD00491620
SMILES	CC1=NN=C(O1)C1=CC=C(Br)C=C1
Synonym	2-4-bromophenyl-5-methyl-1,3,4-oxadiazole,1,3,4-oxadiazole, 2-4-bromophenyl-5-methyl,2-4-bromo-phenyl-5-methyl-1,3,4 oxadiazole,2-4-bromophenyl-5-methyl-1,3,4 oxadiazole,2-4-bromo-phenyl-5-methyl-1,3,4 oxadiazo le
IUPAC Name	2-(4-bromophenyl)-5-methyl-1,3,4-oxadiazole
InChI Key	PQSCYRJMPVYVKU-UHFFFAOYSA-N
Molecular Formula	C9H7BrN2O

1,618

5-(3-Bromophenyl)-1-methyl-1H-pyrazole, 97%, Thermo Scientific™

CAS: 425379-69-7 Molecular Formula: C10H9BrN2 Molecular Weight (g/mol): 237.1 MDL Number: MFCD09065005 InChI Key: RIYUQLBSAMXENJ-UHFFFAOYSA-N Synonym: 5-3-bromophenyl-1-methyl-1h-pyrazole,5-3-bromophenyl-1-methylpyrazole,1h-pyrazole,5-3-bromophenyl-1-methyl PubChem CID: 22329560 IUPAC Name: 5-(3-bromophenyl)-1-methylpyrazole SMILES: CN1C(=CC=N1)C2=CC(=CC=C2)Br

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Specifications

PubChem CID	22329560
CAS	425379-69-7
Molecular Weight (g/mol)	237.1
MDL Number	MFCD09065005
SMILES	CN1C(=CC=N1)C2=CC(=CC=C2)Br
Synonym	5-3-bromophenyl-1-methyl-1h-pyrazole,5-3-bromophenyl-1-methylpyrazole,1h-pyrazole,5-3-bromophenyl-1-methyl
IUPAC Name	5-(3-bromophenyl)-1-methylpyrazole
InChI Key	RIYUQLBSAMXENJ-UHFFFAOYSA-N
Molecular Formula	C10H9BrN2

1,619

4-Hexylbenzoic acid, 97%, Thermo Scientific™

CAS: 21643-38-9 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00013997 InChI Key: CPEPWESLFZVUEP-UHFFFAOYSA-N Synonym: benzoic acid, 4-hexyl,4-n-hexylbenzoic acid,p-hexylbenzoic acid,benzoic acid, p-hexyl,p-n-hexylbenzoic acid,4n-hexylbenzoic acid,maybridge1_002028,para-n-hexyl benzoic acid,acmc-1chu5,ksc201s3p PubChem CID: 30725 IUPAC Name: 4-hexylbenzoic acid SMILES: CCCCCCC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	30725
CAS	21643-38-9
Molecular Weight (g/mol)	206.285
MDL Number	MFCD00013997
SMILES	CCCCCCC1=CC=C(C=C1)C(=O)O
Synonym	benzoic acid, 4-hexyl,4-n-hexylbenzoic acid,p-hexylbenzoic acid,benzoic acid, p-hexyl,p-n-hexylbenzoic acid,4n-hexylbenzoic acid,maybridge1_002028,para-n-hexyl benzoic acid,acmc-1chu5,ksc201s3p
IUPAC Name	4-hexylbenzoic acid
InChI Key	CPEPWESLFZVUEP-UHFFFAOYSA-N
Molecular Formula	C13H18O2

1,620

Aniline Hydrogen Phthalate, MP Biomedicals

CAS: 50930-79-5 Molecular Formula: C14H13NO4 Molecular Weight (g/mol): 259.261 InChI Key: QGPZXNSBZMHHSR-UHFFFAOYSA-N Synonym: aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt PubChem CID: 170940 IUPAC Name: aniline;phthalic acid SMILES: C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O

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Specifications

PubChem CID	170940
CAS	50930-79-5
Molecular Weight (g/mol)	259.261
SMILES	C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O
Synonym	aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt
IUPAC Name	aniline;phthalic acid
InChI Key	QGPZXNSBZMHHSR-UHFFFAOYSA-N
Molecular Formula	C14H13NO4

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