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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5,776 – 5,790 of 77,613 results

5,776

4-Benzyloxybenzyl Alcohol 95.0+%, TCI America™

CAS: 836-43-1 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00004654 InChI Key: OEBIVOHKFYSBPE-UHFFFAOYSA-N Synonym: 4-benzyloxybenzyl alcohol,4-benzyloxy phenyl methanol,p-benzyloxybenzyl alcohol,4-benzyloxybenzylalcohol,4-benzyloxy benzyl alcohol,benzenemethanol, 4-phenylmethoxy,p-alkoxybenzyl alcohol resin,4-phenylmethoxyphenyl methanol,argopore-wang PubChem CID: 70043 ChEBI: CHEBI:29486 IUPAC Name: [4-(benzyloxy)phenyl]methanol SMILES: OCC1=CC=C(OCC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	70043
CAS	836-43-1
Molecular Weight (g/mol)	214.26
ChEBI	CHEBI:29486
MDL Number	MFCD00004654
SMILES	OCC1=CC=C(OCC2=CC=CC=C2)C=C1
Synonym	4-benzyloxybenzyl alcohol,4-benzyloxy phenyl methanol,p-benzyloxybenzyl alcohol,4-benzyloxybenzylalcohol,4-benzyloxy benzyl alcohol,benzenemethanol, 4-phenylmethoxy,p-alkoxybenzyl alcohol resin,4-phenylmethoxyphenyl methanol,argopore-wang
IUPAC Name	[4-(benzyloxy)phenyl]methanol
InChI Key	OEBIVOHKFYSBPE-UHFFFAOYSA-N
Molecular Formula	C14H14O2

5,777

Monoethyl 5-Nitroisophthalate 98.0+%, TCI America™

CAS: 22871-55-2 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00130051 InChI Key: HOYHBDFTELAGGG-UHFFFAOYSA-N Synonym: 5-Nitroisophthalic Acid Monoethyl Ester PubChem CID: 89872 IUPAC Name: 3-ethoxycarbonyl-5-nitrobenzoic acid SMILES: CCOC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	89872
CAS	22871-55-2
Molecular Weight (g/mol)	239.183
MDL Number	MFCD00130051
SMILES	CCOC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]
Synonym	5-Nitroisophthalic Acid Monoethyl Ester
IUPAC Name	3-ethoxycarbonyl-5-nitrobenzoic acid
InChI Key	HOYHBDFTELAGGG-UHFFFAOYSA-N
Molecular Formula	C10H9NO6

5,778

2-Methylbenzhydrol 98.0+%, TCI America™

CAS: 5472-13-9 Molecular Formula: C14H14O Molecular Weight (g/mol): 198.265 MDL Number: MFCD00004490 InChI Key: MXHXXJOHFRHBFB-UHFFFAOYSA-N Synonym: 2-methylbenzhydrol,phenyl o-tolyl methanol,benzhydrol, 2-methyl,2-methylphenyl phenylmethanol,o-methylbenzhydrol,phenyl-o-tolyl-methanol,2-methylphenyl-phenylmethanol,benzenemethanol, 2-methyl-.alpha.-phenyl,2-methylphenyl phenyl methanol,phenyl-o-tolylcarbinol PubChem CID: 95659 IUPAC Name: (2-methylphenyl)-phenylmethanol SMILES: CC1=CC=CC=C1C(C2=CC=CC=C2)O

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Specifications

PubChem CID	95659
CAS	5472-13-9
Molecular Weight (g/mol)	198.265
MDL Number	MFCD00004490
SMILES	CC1=CC=CC=C1C(C2=CC=CC=C2)O
Synonym	2-methylbenzhydrol,phenyl o-tolyl methanol,benzhydrol, 2-methyl,2-methylphenyl phenylmethanol,o-methylbenzhydrol,phenyl-o-tolyl-methanol,2-methylphenyl-phenylmethanol,benzenemethanol, 2-methyl-.alpha.-phenyl,2-methylphenyl phenyl methanol,phenyl-o-tolylcarbinol
IUPAC Name	(2-methylphenyl)-phenylmethanol
InChI Key	MXHXXJOHFRHBFB-UHFFFAOYSA-N
Molecular Formula	C14H14O

5,779

4-Bromotetraphenylsilane 96.0+%, TCI America™

CAS: 18737-40-1 Molecular Formula: C24H19BrSi Molecular Weight (g/mol): 415.405 InChI Key: UDZSLJULKCKKPX-UHFFFAOYSA-N PubChem CID: 297506 IUPAC Name: (4-bromophenyl)-triphenylsilane SMILES: C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)Br

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Specifications

PubChem CID	297506
CAS	18737-40-1
Molecular Weight (g/mol)	415.405
SMILES	C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)Br
IUPAC Name	(4-bromophenyl)-triphenylsilane
InChI Key	UDZSLJULKCKKPX-UHFFFAOYSA-N
Molecular Formula	C24H19BrSi

5,780

2,4-Dichlorobenzoyl Chloride 97.0+%, TCI America™

CAS: 89-75-8 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00000661 InChI Key: CEOCVKWBUWKBKA-UHFFFAOYSA-N Synonym: benzoyl chloride, 2,4-dichloro,2,4-dichlorobenzoylchloride,benzoylchloride, 2,4-dichloro,ccris 8616,acmc-1cuf7,dsstox_cid_31176,dsstox_gsid_52603,2,4-dichloro benzoylchloride,2.4-dichlorobenzoyl chloride,ksc450c2p PubChem CID: 66645 IUPAC Name: 2,4-dichlorobenzoyl chloride SMILES: ClC(=O)C1=CC=C(Cl)C=C1Cl

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Specifications

PubChem CID	66645
CAS	89-75-8
Molecular Weight (g/mol)	209.45
MDL Number	MFCD00000661
SMILES	ClC(=O)C1=CC=C(Cl)C=C1Cl
Synonym	benzoyl chloride, 2,4-dichloro,2,4-dichlorobenzoylchloride,benzoylchloride, 2,4-dichloro,ccris 8616,acmc-1cuf7,dsstox_cid_31176,dsstox_gsid_52603,2,4-dichloro benzoylchloride,2.4-dichlorobenzoyl chloride,ksc450c2p
IUPAC Name	2,4-dichlorobenzoyl chloride
InChI Key	CEOCVKWBUWKBKA-UHFFFAOYSA-N
Molecular Formula	C7H3Cl3O

5,781

Isobutylbenzene 99.0+%, TCI America™

CAS: 538-93-2 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 MDL Number: MFCD00008936 InChI Key: KXUHSQYYJYAXGZ-UHFFFAOYSA-N Synonym: isobutylbenzene,benzene, 2-methylpropyl,2-methylpropyl benzene,benzene, isobutyl,1-phenyl-2-methylpropane,2-methyl-1-phenylpropane,1-phenylisobutane,2-phenyl-2-methylpropane,iso-butylbenzene,1-isobutylbenzene PubChem CID: 10870 ChEBI: CHEBI:43261 IUPAC Name: (2-methylpropyl)benzene SMILES: CC(C)CC1=CC=CC=C1

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Specifications

PubChem CID	10870
CAS	538-93-2
Molecular Weight (g/mol)	134.22
ChEBI	CHEBI:43261
MDL Number	MFCD00008936
SMILES	CC(C)CC1=CC=CC=C1
Synonym	isobutylbenzene,benzene, 2-methylpropyl,2-methylpropyl benzene,benzene, isobutyl,1-phenyl-2-methylpropane,2-methyl-1-phenylpropane,1-phenylisobutane,2-phenyl-2-methylpropane,iso-butylbenzene,1-isobutylbenzene
IUPAC Name	(2-methylpropyl)benzene
InChI Key	KXUHSQYYJYAXGZ-UHFFFAOYSA-N
Molecular Formula	C10H14

5,782

4-tert-Butylbenzaldehyde 95.0+%, TCI America™

CAS: 939-97-9 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00035742 InChI Key: OTXINXDGSUFPNU-UHFFFAOYSA-N Synonym: 4-tert-butyl benzaldehyde,p-t-butylbenzaldehyde,p-tertbutyl benzaldehyde,benzaldehyde, 4-1,1-dimethylethyl,p-tert-butylbenzaldehyde,4-t-butylbenzaldehyde,4-tert-butyl-benzaldehyde,unii-qxf0qy8503,4-t-butyl benzaldehyde,benzaldehyde, p-tert-butyl PubChem CID: 70324 IUPAC Name: 4-tert-butylbenzaldehyde SMILES: CC(C)(C)C1=CC=C(C=O)C=C1

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Specifications

PubChem CID	70324
CAS	939-97-9
Molecular Weight (g/mol)	162.23
MDL Number	MFCD00035742
SMILES	CC(C)(C)C1=CC=C(C=O)C=C1
Synonym	4-tert-butyl benzaldehyde,p-t-butylbenzaldehyde,p-tertbutyl benzaldehyde,benzaldehyde, 4-1,1-dimethylethyl,p-tert-butylbenzaldehyde,4-t-butylbenzaldehyde,4-tert-butyl-benzaldehyde,unii-qxf0qy8503,4-t-butyl benzaldehyde,benzaldehyde, p-tert-butyl
IUPAC Name	4-tert-butylbenzaldehyde
InChI Key	OTXINXDGSUFPNU-UHFFFAOYSA-N
Molecular Formula	C11H14O

5,783

(R)-(+)-1,1,2-Triphenyl-1,2-ethanediol 98.0+%, TCI America™

CAS: 95061-46-4 Molecular Formula: C20H18O2 Molecular Weight (g/mol): 290.362 MDL Number: MFCD00134424 InChI Key: GWVWUZJOQHWMFB-LJQANCHMSA-N PubChem CID: 6995538 IUPAC Name: (2R)-1,1,2-triphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O

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Specifications

PubChem CID	6995538
CAS	95061-46-4
Molecular Weight (g/mol)	290.362
MDL Number	MFCD00134424
SMILES	C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O
IUPAC Name	(2R)-1,1,2-triphenylethane-1,2-diol
InChI Key	GWVWUZJOQHWMFB-LJQANCHMSA-N
Molecular Formula	C20H18O2

5,784

4-Fluoro-3-nitrobenzaldehyde 95.0+%, TCI America™

CAS: 42564-51-2 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD01861388 InChI Key: ILKWFRCNNILIJW-UHFFFAOYSA-N Synonym: 3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde PubChem CID: 598129 IUPAC Name: 4-fluoro-3-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])F

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Specifications

PubChem CID	598129
CAS	42564-51-2
Molecular Weight (g/mol)	169.111
MDL Number	MFCD01861388
SMILES	C1=CC(=C(C=C1C=O)[N+](=O)[O-])F
Synonym	3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde
IUPAC Name	4-fluoro-3-nitrobenzaldehyde
InChI Key	ILKWFRCNNILIJW-UHFFFAOYSA-N
Molecular Formula	C7H4FNO3

5,785

1,4-Dibutoxybenzene 98.0+%, TCI America™

CAS: 104-36-9 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.328 InChI Key: ZROGCHDPRZRKTI-UHFFFAOYSA-N PubChem CID: 66911 IUPAC Name: 1,4-dibutoxybenzene SMILES: CCCCOC1=CC=C(C=C1)OCCCC

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Specifications

PubChem CID	66911
CAS	104-36-9
Molecular Weight (g/mol)	222.328
SMILES	CCCCOC1=CC=C(C=C1)OCCCC
IUPAC Name	1,4-dibutoxybenzene
InChI Key	ZROGCHDPRZRKTI-UHFFFAOYSA-N
Molecular Formula	C14H22O2

5,786

4-Chloro-4'-hydroxybenzophenone 98.0+%, TCI America™

CAS: 42019-78-3 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.66 MDL Number: MFCD00002357 InChI Key: RUETVLNXAGWCDS-UHFFFAOYSA-N Synonym: 4-chloro-4'-hydroxybenzophenone,4-chlorophenyl 4-hydroxyphenyl methanone,4-hydroxy-4'-chlorobenzophenone,4-p-chlorobenzoylphenol,4-4-chlorobenzoyl phenol,4-chlorophenyl 4-hydroxyphenyl-methanone,methanone, 4-chlorophenyl 4-hydroxyphenyl,4-chlorophenyl-4-hydroxyphenyl methanone,4-chlorophenyl 4-hydroxyphenyl ketone,pubchem3317 PubChem CID: 123504 IUPAC Name: 4-(4-chlorobenzoyl)phenol SMILES: OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1

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Specifications

PubChem CID	123504
CAS	42019-78-3
Molecular Weight (g/mol)	232.66
MDL Number	MFCD00002357
SMILES	OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1
Synonym	4-chloro-4'-hydroxybenzophenone,4-chlorophenyl 4-hydroxyphenyl methanone,4-hydroxy-4'-chlorobenzophenone,4-p-chlorobenzoylphenol,4-4-chlorobenzoyl phenol,4-chlorophenyl 4-hydroxyphenyl-methanone,methanone, 4-chlorophenyl 4-hydroxyphenyl,4-chlorophenyl-4-hydroxyphenyl methanone,4-chlorophenyl 4-hydroxyphenyl ketone,pubchem3317
IUPAC Name	4-(4-chlorobenzoyl)phenol
InChI Key	RUETVLNXAGWCDS-UHFFFAOYSA-N
Molecular Formula	C13H9ClO2

5,787

4-Methoxy-3,5-dinitrotoluene 98.0+%, TCI America™

CAS: 29455-11-6 Molecular Formula: C8H8N2O5 Molecular Weight (g/mol): 212.16 MDL Number: MFCD00192097 InChI Key: HVNUPXQONRHUOX-UHFFFAOYSA-N Synonym: 4-Methyl-2,6-dinitroanisole, 1-Methoxy-4-methyl-2,6-dinitrobenzene PubChem CID: 259649 IUPAC Name: 2-methoxy-5-methyl-1,3-dinitrobenzene SMILES: COC1=C(C=C(C)C=C1[N+]([O-])=O)[N+]([O-])=O

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Specifications

PubChem CID	259649
CAS	29455-11-6
Molecular Weight (g/mol)	212.16
MDL Number	MFCD00192097
SMILES	COC1=C(C=C(C)C=C1[N+]([O-])=O)[N+]([O-])=O
Synonym	4-Methyl-2,6-dinitroanisole, 1-Methoxy-4-methyl-2,6-dinitrobenzene
IUPAC Name	2-methoxy-5-methyl-1,3-dinitrobenzene
InChI Key	HVNUPXQONRHUOX-UHFFFAOYSA-N
Molecular Formula	C8H8N2O5

5,788

[RuCl(p-cymene)((R)-tolbinap)]Cl, TCI America™

CAS: 1034001-51-8 Molecular Formula: C58H54Cl2P2Ru+ Molecular Weight (g/mol): 984.988 InChI Key: ZKAJUZRGXDGAJV-UHFFFAOYSA-L Synonym: Chloro[(R)-(+)-2,2′C-bis(di-p-tolylphosphino)-1,1′C-binaphthyl](p-cymene)ruthenium(II) Chloride PubChem CID: 91972179 IUPAC Name: [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(3+);dichloride SMILES: CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.[Cl-].[Cl-].[Ru+3]

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Specifications

PubChem CID	91972179
CAS	1034001-51-8
Molecular Weight (g/mol)	984.988
SMILES	CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.[Cl-].[Cl-].[Ru+3]
Synonym	Chloro[(R)-(+)-2,2′C-bis(di-p-tolylphosphino)-1,1′C-binaphthyl](p-cymene)ruthenium(II) Chloride
IUPAC Name	[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(3+);dichloride
InChI Key	ZKAJUZRGXDGAJV-UHFFFAOYSA-L
Molecular Formula	C58H54Cl2P2Ru+

5,789

4-Butylbenzyl Bromide 97.0+%, TCI America™

CAS: 10531-16-5 Molecular Formula: C11H15Br Molecular Weight (g/mol): 227.145 InChI Key: XNQBGVFFKGZXJH-UHFFFAOYSA-N PubChem CID: 12150840 IUPAC Name: 1-(bromomethyl)-4-butylbenzene SMILES: CCCCC1=CC=C(C=C1)CBr

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Specifications

PubChem CID	12150840
CAS	10531-16-5
Molecular Weight (g/mol)	227.145
SMILES	CCCCC1=CC=C(C=C1)CBr
IUPAC Name	1-(bromomethyl)-4-butylbenzene
InChI Key	XNQBGVFFKGZXJH-UHFFFAOYSA-N
Molecular Formula	C11H15Br

5,790

N-(o-Toluoyl)glycine 98.0+%, TCI America™

CAS: 42013-20-7 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00050991 InChI Key: YOEBAVRJHRCKRE-UHFFFAOYSA-N Synonym: 2-Methylhippuric Acid, N-(2-Methylbenzoyl)glycine PubChem CID: 91637 ChEBI: CHEBI:68455 IUPAC Name: 2-[(2-methylbenzoyl)amino]acetic acid SMILES: CC1=CC=CC=C1C(=O)NCC(=O)O

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Specifications

PubChem CID	91637
CAS	42013-20-7
Molecular Weight (g/mol)	193.202
ChEBI	CHEBI:68455
MDL Number	MFCD00050991
SMILES	CC1=CC=CC=C1C(=O)NCC(=O)O
Synonym	2-Methylhippuric Acid, N-(2-Methylbenzoyl)glycine
IUPAC Name	2-[(2-methylbenzoyl)amino]acetic acid
InChI Key	YOEBAVRJHRCKRE-UHFFFAOYSA-N
Molecular Formula	C10H11NO3

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