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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7,021 – 7,035 of 57,364 results

7,021

Methyl 2,4-Dihydroxybenzoate 98.0+%, TCI America™

CAS: 2150-47-2 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00002276 InChI Key: IIFCLXHRIYTHPV-UHFFFAOYSA-N Synonym: 2,4-dihydroxybenzoic acid methyl ester,benzoic acid, 2,4-dihydroxy-, methyl ester,methyl beta-resorcylate,methyl-2,4-dihydroxybenzoate,unii-xe68bu3oyj,xe68bu3oyj,.beta.-resorcylic acid, methyl ester,beta-resorcylic acid methyl ester,methyl benzoate, 2,4-dihydroxy,methyl b-resorcylate PubChem CID: 16523 IUPAC Name: methyl 2,4-dihydroxybenzoate SMILES: COC(=O)C1=C(C=C(C=C1)O)O

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Specifications

PubChem CID	16523
CAS	2150-47-2
Molecular Weight (g/mol)	168.148
MDL Number	MFCD00002276
SMILES	COC(=O)C1=C(C=C(C=C1)O)O
Synonym	2,4-dihydroxybenzoic acid methyl ester,benzoic acid, 2,4-dihydroxy-, methyl ester,methyl beta-resorcylate,methyl-2,4-dihydroxybenzoate,unii-xe68bu3oyj,xe68bu3oyj,.beta.-resorcylic acid, methyl ester,beta-resorcylic acid methyl ester,methyl benzoate, 2,4-dihydroxy,methyl b-resorcylate
IUPAC Name	methyl 2,4-dihydroxybenzoate
InChI Key	IIFCLXHRIYTHPV-UHFFFAOYSA-N
Molecular Formula	C8H8O4

7,022

3-Phenylpropylamine 97.0+%, TCI America™

CAS: 2038-57-5 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008224 InChI Key: LYUQWQRTDLVQGA-UHFFFAOYSA-N Synonym: 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine PubChem CID: 16259 IUPAC Name: 3-phenylpropan-1-amine SMILES: NCCCC1=CC=CC=C1

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Specifications

PubChem CID	16259
CAS	2038-57-5
Molecular Weight (g/mol)	135.21
MDL Number	MFCD00008224
SMILES	NCCCC1=CC=CC=C1
Synonym	3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine
IUPAC Name	3-phenylpropan-1-amine
InChI Key	LYUQWQRTDLVQGA-UHFFFAOYSA-N
Molecular Formula	C9H13N

7,023

4-Chlorophenylhydrazine Hydrochloride 98.0+%, TCI America™

CAS: 1073-70-7 Molecular Formula: C6H8Cl2N2 Molecular Weight (g/mol): 179.044 MDL Number: MFCD00012943 InChI Key: YQVZREHUWCCHHX-UHFFFAOYSA-N Synonym: 4-chlorophenylhydrazine hydrochloride,4-chlorophenyl hydrazine hydrochloride,p-chlorophenylhydrazine hydrochloride,p-chlorophenylhydrazine hcl,4-chlorophenylhydrazine hcl,1-4-chlorophenyl hydrazine hydrochloride,4-chloro-phenyl-hydrazine hydrochloride,chlorophenylhydrazine 4-hcl,hydrazine, 4-chlorophenyl-, monohydrochloride,4-chlorophenylhydrazine, chloride PubChem CID: 71600 IUPAC Name: (4-chlorophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC=C1NN)Cl.Cl

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Specifications

PubChem CID	71600
CAS	1073-70-7
Molecular Weight (g/mol)	179.044
MDL Number	MFCD00012943
SMILES	C1=CC(=CC=C1NN)Cl.Cl
Synonym	4-chlorophenylhydrazine hydrochloride,4-chlorophenyl hydrazine hydrochloride,p-chlorophenylhydrazine hydrochloride,p-chlorophenylhydrazine hcl,4-chlorophenylhydrazine hcl,1-4-chlorophenyl hydrazine hydrochloride,4-chloro-phenyl-hydrazine hydrochloride,chlorophenylhydrazine 4-hcl,hydrazine, 4-chlorophenyl-, monohydrochloride,4-chlorophenylhydrazine, chloride
IUPAC Name	(4-chlorophenyl)hydrazine;hydrochloride
InChI Key	YQVZREHUWCCHHX-UHFFFAOYSA-N
Molecular Formula	C6H8Cl2N2

7,024

2-Fluoro-6-iodobenzoic Acid 98.0+%, TCI America™

CAS: 111771-08-5 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD00042289 InChI Key: CYCXAPWOBWWNRK-UHFFFAOYSA-N Synonym: 6-fluoro-2-iodobenzoic acid,benzoic acid, 2-fluoro-6-iodo,maybridge3_007452,pubchem1386,acmc-2099an,2-fluoro-6-iodobenzoicacid,2-fluoro-6-iodo benzoic acid,2-fluoro-6-iodo-benzoic acid,rarechem al bo 0280,attercop-chm at126295 PubChem CID: 2733302 IUPAC Name: 2-fluoro-6-iodobenzoic acid SMILES: C1=CC(=C(C(=C1)I)C(=O)O)F

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Specifications

PubChem CID	2733302
CAS	111771-08-5
Molecular Weight (g/mol)	266.01
MDL Number	MFCD00042289
SMILES	C1=CC(=C(C(=C1)I)C(=O)O)F
Synonym	6-fluoro-2-iodobenzoic acid,benzoic acid, 2-fluoro-6-iodo,maybridge3_007452,pubchem1386,acmc-2099an,2-fluoro-6-iodobenzoicacid,2-fluoro-6-iodo benzoic acid,2-fluoro-6-iodo-benzoic acid,rarechem al bo 0280,attercop-chm at126295
IUPAC Name	2-fluoro-6-iodobenzoic acid
InChI Key	CYCXAPWOBWWNRK-UHFFFAOYSA-N
Molecular Formula	C7H4FIO2

7,025

Ethyl 3-Fluorobenzoate 98.0+%, TCI America™

CAS: 451-02-5 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00000336 InChI Key: SMMIKBXLEWTSJD-UHFFFAOYSA-N Synonym: ethyl m-fluorobenzoate,benzoic acid, 3-fluoro-, ethyl ester,3-fluorobenzoic acid ethyl ester,3-fluoro-benzoic acid ethyl ester,benzoic acid, m-fluoro-, ethyl ester,pubchem3470,3-fluorobenzoic acid ethyl,acmc-209k0o,ethyl3-fluorobenzoate,3-fluoro-benzoicaciethylester PubChem CID: 67975 IUPAC Name: ethyl 3-fluorobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)F

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Specifications

PubChem CID	67975
CAS	451-02-5
Molecular Weight (g/mol)	168.167
MDL Number	MFCD00000336
SMILES	CCOC(=O)C1=CC(=CC=C1)F
Synonym	ethyl m-fluorobenzoate,benzoic acid, 3-fluoro-, ethyl ester,3-fluorobenzoic acid ethyl ester,3-fluoro-benzoic acid ethyl ester,benzoic acid, m-fluoro-, ethyl ester,pubchem3470,3-fluorobenzoic acid ethyl,acmc-209k0o,ethyl3-fluorobenzoate,3-fluoro-benzoicaciethylester
IUPAC Name	ethyl 3-fluorobenzoate
InChI Key	SMMIKBXLEWTSJD-UHFFFAOYSA-N
Molecular Formula	C9H9FO2

7,026

alpha,alpha'-Dichloro-p-xylene 98.0+%, TCI America™

CAS: 623-25-6 Molecular Formula: C8H8Cl2 Molecular Weight (g/mol): 175.052 MDL Number: MFCD00000920 InChI Key: ZZHIDJWUJRKHGX-UHFFFAOYSA-N Synonym: 1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772 PubChem CID: 12171 IUPAC Name: 1,4-bis(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)CCl

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Specifications

PubChem CID	12171
CAS	623-25-6
Molecular Weight (g/mol)	175.052
MDL Number	MFCD00000920
SMILES	C1=CC(=CC=C1CCl)CCl
Synonym	1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772
IUPAC Name	1,4-bis(chloromethyl)benzene
InChI Key	ZZHIDJWUJRKHGX-UHFFFAOYSA-N
Molecular Formula	C8H8Cl2

7,027

4'-Bromosalicylanilide 98.0+%, TCI America™

CAS: 2627-77-2 Molecular Formula: C13H10BrNO2 Molecular Weight (g/mol): 292.13 MDL Number: MFCD00059615 InChI Key: DKQMTUHJJPFJRL-UHFFFAOYSA-N Synonym: 4′C-Bromo-2-hydroxybenzanilide PubChem CID: 75817 IUPAC Name: N-(4-bromophenyl)-2-hydroxybenzamide SMILES: OC1=CC=CC=C1C(=O)NC1=CC=C(Br)C=C1

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Specifications

PubChem CID	75817
CAS	2627-77-2
Molecular Weight (g/mol)	292.13
MDL Number	MFCD00059615
SMILES	OC1=CC=CC=C1C(=O)NC1=CC=C(Br)C=C1
Synonym	4′C-Bromo-2-hydroxybenzanilide
IUPAC Name	N-(4-bromophenyl)-2-hydroxybenzamide
InChI Key	DKQMTUHJJPFJRL-UHFFFAOYSA-N
Molecular Formula	C13H10BrNO2

7,028

(R)-4-Benzyloxy-1,2-butanediol 97.0+%, TCI America™

CAS: 86990-91-2 Molecular Formula: C11H16O3 Molecular Weight (g/mol): 196.246 InChI Key: TVRPDIKPMQUOSL-LLVKDONJSA-N PubChem CID: 10910454 IUPAC Name: (2R)-4-phenylmethoxybutane-1,2-diol SMILES: C1=CC=C(C=C1)COCCC(CO)O

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Specifications

PubChem CID	10910454
CAS	86990-91-2
Molecular Weight (g/mol)	196.246
SMILES	C1=CC=C(C=C1)COCCC(CO)O
IUPAC Name	(2R)-4-phenylmethoxybutane-1,2-diol
InChI Key	TVRPDIKPMQUOSL-LLVKDONJSA-N
Molecular Formula	C11H16O3

7,029

Sodium p-Styrenesulfonate Hydrate 93.0+%, TCI America™

CAS: 123333-94-8 Molecular Formula: C8H9NaO4S Molecular Weight (g/mol): 224.21 MDL Number: MFCD03092905 InChI Key: AATHLPHPRXGBAI-UHFFFAOYSA-M Synonym: p-Styrenesulfonic Acid Sodium Salt PubChem CID: 23681144 IUPAC Name: sodium 4-ethenylbenzene-1-sulfonate hydrate SMILES: O.[Na+].[O-]S(=O)(=O)C1=CC=C(C=C)C=C1

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Specifications

PubChem CID	23681144
CAS	123333-94-8
Molecular Weight (g/mol)	224.21
MDL Number	MFCD03092905
SMILES	O.[Na+].[O-]S(=O)(=O)C1=CC=C(C=C)C=C1
Synonym	p-Styrenesulfonic Acid Sodium Salt
IUPAC Name	sodium 4-ethenylbenzene-1-sulfonate hydrate
InChI Key	AATHLPHPRXGBAI-UHFFFAOYSA-M
Molecular Formula	C8H9NaO4S

7,030

Bis(4-bromophenylboronic Acid) scyllo-Inositol Complex Dipotassium Tetrahydrate 98.0+%, TCI America™

CAS: 1537876-29-1 Molecular Formula: C18H14B2Br2K2O6 Molecular Weight (g/mol): 585.929 InChI Key: KFMXNLSRMBTKTI-UHFFFAOYSA-N PubChem CID: 91972154 SMILES: [B-]12(OC3C4C(O1)C5C(C3O[B-](O4)(O5)C6=CC=C(C=C6)Br)O2)C7=CC=C(C=C7)Br.[K+].[K+]

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Specifications

PubChem CID	91972154
CAS	1537876-29-1
Molecular Weight (g/mol)	585.929
SMILES	[B-]12(OC3C4C(O1)C5C(C3O[B-](O4)(O5)C6=CC=C(C=C6)Br)O2)C7=CC=C(C=C7)Br.[K+].[K+]
InChI Key	KFMXNLSRMBTKTI-UHFFFAOYSA-N
Molecular Formula	C18H14B2Br2K2O6

7,031

Methyl 2-Chloro-4-nitrobenzoate 99.0+%, TCI America™

CAS: 13324-11-3 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00017013 InChI Key: PICNSXCJRMYANX-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester PubChem CID: 83343 IUPAC Name: methyl 2-chloro-4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O

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Specifications

PubChem CID	83343
CAS	13324-11-3
Molecular Weight (g/mol)	215.59
MDL Number	MFCD00017013
SMILES	COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
Synonym	2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester
IUPAC Name	methyl 2-chloro-4-nitrobenzoate
InChI Key	PICNSXCJRMYANX-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

7,032

4-Iodotoluene 99.0+%, TCI America™

CAS: 624-31-7 Molecular Formula: C7H7I Molecular Weight (g/mol): 218.037 MDL Number: MFCD00001059 InChI Key: UDHAWRUAECEBHC-UHFFFAOYSA-N Synonym: 4-iodotoluene,p-iodotoluene,benzene, 1-iodo-4-methyl,toluene, p-iodo,p-tolyl iodide,p-methyliodobenzene,1-methyl-4-iodobenzene,1-iodo-4-methyl-benzene,unii-g75kcn1am8,iodotoluene 4- PubChem CID: 12207 IUPAC Name: 1-iodo-4-methylbenzene SMILES: CC1=CC=C(C=C1)I

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Specifications

PubChem CID	12207
CAS	624-31-7
Molecular Weight (g/mol)	218.037
MDL Number	MFCD00001059
SMILES	CC1=CC=C(C=C1)I
Synonym	4-iodotoluene,p-iodotoluene,benzene, 1-iodo-4-methyl,toluene, p-iodo,p-tolyl iodide,p-methyliodobenzene,1-methyl-4-iodobenzene,1-iodo-4-methyl-benzene,unii-g75kcn1am8,iodotoluene 4-
IUPAC Name	1-iodo-4-methylbenzene
InChI Key	UDHAWRUAECEBHC-UHFFFAOYSA-N
Molecular Formula	C7H7I

7,033

1,3-Bis(4-methoxyphenoxy)benzene 98.0+%, TCI America™

CAS: 13118-91-7 Molecular Formula: C20H18O4 Molecular Weight (g/mol): 322.36 MDL Number: MFCD00142506 InChI Key: MUFYVNCRQIHDCE-UHFFFAOYSA-N PubChem CID: 629519 IUPAC Name: 1,3-bis(4-methoxyphenoxy)benzene SMILES: COC1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC=C(C=C3)OC

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Specifications

PubChem CID	629519
CAS	13118-91-7
Molecular Weight (g/mol)	322.36
MDL Number	MFCD00142506
SMILES	COC1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC=C(C=C3)OC
IUPAC Name	1,3-bis(4-methoxyphenoxy)benzene
InChI Key	MUFYVNCRQIHDCE-UHFFFAOYSA-N
Molecular Formula	C20H18O4

7,034

3,3-(Diphenyl)acrylonitrile 98.0+%, TCI America™

CAS: 3531-24-6 Molecular Formula: C15H11N Molecular Weight (g/mol): 205.26 MDL Number: MFCD00045630 InChI Key: RDGWQFSLTSPRBG-UHFFFAOYSA-N PubChem CID: 274352 IUPAC Name: 3,3-diphenylprop-2-enenitrile SMILES: N#CC=C(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	274352
CAS	3531-24-6
Molecular Weight (g/mol)	205.26
MDL Number	MFCD00045630
SMILES	N#CC=C(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	3,3-diphenylprop-2-enenitrile
InChI Key	RDGWQFSLTSPRBG-UHFFFAOYSA-N
Molecular Formula	C15H11N

7,035

Monomethyl Isophthalate 97.0+%, TCI America™

CAS: 1877-71-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00029972 InChI Key: WMZNGTSLFSJHMZ-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate PubChem CID: 601880 IUPAC Name: 3-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC(=C1)C(=O)O

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Specifications

PubChem CID	601880
CAS	1877-71-0
Molecular Weight (g/mol)	180.159
MDL Number	MFCD00029972
SMILES	COC(=O)C1=CC=CC(=C1)C(=O)O
Synonym	3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate
IUPAC Name	3-methoxycarbonylbenzoic acid
InChI Key	WMZNGTSLFSJHMZ-UHFFFAOYSA-N
Molecular Formula	C9H8O4

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Benzene and substituted derivatives

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