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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2,716 – 2,730 of 57,283 results

2,716

5-Hydroxy-2-nitrobenzaldehyde, 97%, Thermo Scientific Chemicals

CAS: 42454-06-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007332 InChI Key: XLYPHUGUKGMURE-UHFFFAOYSA-N Synonym: 3-formyl-4-nitrophenol,6-nitro-3-hydroxybenzaldehyde,2-nitro-5-hydroxybenzaldehyde,5-hydroxy-2-nitro-benzaldehyde,benzaldehyde, 5-hydroxy-2-nitro,unii-va926z93if,6-nitro-3-hydroxy benzaldhyde,pubchem8205,acmc-1an3l,4-08-00-00250 beilstein handbook reference PubChem CID: 39211 IUPAC Name: 5-hydroxy-2-nitrobenzaldehyde SMILES: OC1=CC=C(C(C=O)=C1)[N+]([O-])=O

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Specifications

PubChem CID	39211
CAS	42454-06-8
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00007332
SMILES	OC1=CC=C(C(C=O)=C1)[N+]([O-])=O
Synonym	3-formyl-4-nitrophenol,6-nitro-3-hydroxybenzaldehyde,2-nitro-5-hydroxybenzaldehyde,5-hydroxy-2-nitro-benzaldehyde,benzaldehyde, 5-hydroxy-2-nitro,unii-va926z93if,6-nitro-3-hydroxy benzaldhyde,pubchem8205,acmc-1an3l,4-08-00-00250 beilstein handbook reference
IUPAC Name	5-hydroxy-2-nitrobenzaldehyde
InChI Key	XLYPHUGUKGMURE-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

2,717

2,4-Dichloro-6-methylaniline, 97%

CAS: 30273-00-8 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00044074 InChI Key: UAISVUGQLKXPFF-UHFFFAOYSA-N Synonym: 4,6-dichloro-2-methylaniline,benzenamine, 2,4-dichloro-6-methyl,acmc-20aodo,4,6-dichloro-o-toluidine,2-amino-3,5-dichlorotoluene,2,4-dichloro-6-methylphenylamine,4,6-dichloro-2-methylphenylamine,2,4-bis chloranyl-6-methyl-aniline,2,4-dichloro-6-methylaniline PubChem CID: 1268287 IUPAC Name: 2,4-dichloro-6-methylaniline SMILES: CC1=CC(=CC(=C1N)Cl)Cl

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Specifications

PubChem CID	1268287
CAS	30273-00-8
Molecular Weight (g/mol)	176.04
MDL Number	MFCD00044074
SMILES	CC1=CC(=CC(=C1N)Cl)Cl
Synonym	4,6-dichloro-2-methylaniline,benzenamine, 2,4-dichloro-6-methyl,acmc-20aodo,4,6-dichloro-o-toluidine,2-amino-3,5-dichlorotoluene,2,4-dichloro-6-methylphenylamine,4,6-dichloro-2-methylphenylamine,2,4-bis chloranyl-6-methyl-aniline,2,4-dichloro-6-methylaniline
IUPAC Name	2,4-dichloro-6-methylaniline
InChI Key	UAISVUGQLKXPFF-UHFFFAOYSA-N
Molecular Formula	C7H7Cl2N

2,718

3,5-Dichlorobenzylamine, 94%

CAS: 39989-43-0 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00052681 InChI Key: ICIJWOWQUHHETJ-UHFFFAOYSA-N Synonym: 3,5-dichlorobenzylamine,3,5-dichlorophenyl methanamine,benzenemethanamine, 3,5-dichloro,3,5-dichloro-benzylamine,1-3,5-dichlorophenyl methanamine,3,5-dichlorophenyl methylamine,pubchem23431,3.5-dichlorobenzylamine,acmc-1cthv,integrase inhibitor, r1 4 PubChem CID: 457602 SMILES: NCC1=CC(Cl)=CC(Cl)=C1

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Specifications

PubChem CID	457602
CAS	39989-43-0
Molecular Weight (g/mol)	176.04
MDL Number	MFCD00052681
SMILES	NCC1=CC(Cl)=CC(Cl)=C1
Synonym	3,5-dichlorobenzylamine,3,5-dichlorophenyl methanamine,benzenemethanamine, 3,5-dichloro,3,5-dichloro-benzylamine,1-3,5-dichlorophenyl methanamine,3,5-dichlorophenyl methylamine,pubchem23431,3.5-dichlorobenzylamine,acmc-1cthv,integrase inhibitor, r1 4
InChI Key	ICIJWOWQUHHETJ-UHFFFAOYSA-N
Molecular Formula	C7H7Cl2N

2,719

2-Chloro-4-nitrotoluene, 98%

CAS: 121-86-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007210 InChI Key: LLYXJBROWQDVMI-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene PubChem CID: 8491 IUPAC Name: 2-chloro-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl

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Specifications

PubChem CID	8491
CAS	121-86-8
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00007210
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
Synonym	2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene
IUPAC Name	2-chloro-1-methyl-4-nitrobenzene
InChI Key	LLYXJBROWQDVMI-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO2

2,720

3-Methyl-2-nitrobenzoic acid, 98%

CAS: 5437-38-7 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007180 InChI Key: DGDAVTPQCQXLGU-UHFFFAOYSA-N Synonym: 3-methyl-2-nitrobenzoic acid,2-nitro-m-toluic acid,2-nitro-3-methylbenzoic acid,benzoic acid, 3-methyl-2-nitro,unii-61wop984ab,3-methyl-2-nitro-benzoic acid,3-methyl-2-nitrobenzoicacid,pubchem8352,acmc-1ashh,dsstox_cid_5640 PubChem CID: 21575 IUPAC Name: 3-methyl-2-nitrobenzoic acid SMILES: CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O

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Specifications

PubChem CID	21575
CAS	5437-38-7
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007180
SMILES	CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O
Synonym	3-methyl-2-nitrobenzoic acid,2-nitro-m-toluic acid,2-nitro-3-methylbenzoic acid,benzoic acid, 3-methyl-2-nitro,unii-61wop984ab,3-methyl-2-nitro-benzoic acid,3-methyl-2-nitrobenzoicacid,pubchem8352,acmc-1ashh,dsstox_cid_5640
IUPAC Name	3-methyl-2-nitrobenzoic acid
InChI Key	DGDAVTPQCQXLGU-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

2,721

2-Bromo-5-iodobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 25252-00-0 Molecular Formula: C7H4BrIO2 Molecular Weight (g/mol): 326.915 MDL Number: MFCD00079716 InChI Key: QPKKBDSNZFSSOD-UHFFFAOYSA-N Synonym: 2-bromo-5-iodobenzoicacid,2-bromo-5-iodo-benzoic acid,benzoic acid, 2-bromo-5-iodo,pubchem3787,acmc-209gii,intermediates-zcf02680,ksc497i9t,zerenex e/9071914,2-bromo-5-iodobenzoic acid PubChem CID: 2735572 IUPAC Name: 2-bromo-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)Br

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Specifications

PubChem CID	2735572
CAS	25252-00-0
Molecular Weight (g/mol)	326.915
MDL Number	MFCD00079716
SMILES	C1=CC(=C(C=C1I)C(=O)O)Br
Synonym	2-bromo-5-iodobenzoicacid,2-bromo-5-iodo-benzoic acid,benzoic acid, 2-bromo-5-iodo,pubchem3787,acmc-209gii,intermediates-zcf02680,ksc497i9t,zerenex e/9071914,2-bromo-5-iodobenzoic acid
IUPAC Name	2-bromo-5-iodobenzoic acid
InChI Key	QPKKBDSNZFSSOD-UHFFFAOYSA-N
Molecular Formula	C7H4BrIO2

2,722

N-Phenylurethane, 98%

CAS: 101-99-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00026806 InChI Key: LBKPGNUOUPTQKA-UHFFFAOYSA-N Synonym: n-phenylurethane,phenylurethane,ethyl phenylcarbamate,phenylurethan,ethyl carbanilate,euphorin,keimstop,urethane, phenyl,carbanilic acid, ethyl ester,phenylethyl carbamate PubChem CID: 7591 IUPAC Name: ethyl N-phenylcarbamate SMILES: CCOC(=O)NC1=CC=CC=C1

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Specifications

PubChem CID	7591
CAS	101-99-5
Molecular Weight (g/mol)	165.192
MDL Number	MFCD00026806
SMILES	CCOC(=O)NC1=CC=CC=C1
Synonym	n-phenylurethane,phenylurethane,ethyl phenylcarbamate,phenylurethan,ethyl carbanilate,euphorin,keimstop,urethane, phenyl,carbanilic acid, ethyl ester,phenylethyl carbamate
IUPAC Name	ethyl N-phenylcarbamate
InChI Key	LBKPGNUOUPTQKA-UHFFFAOYSA-N
Molecular Formula	C9H11NO2

2,723

Bromopentamethylbenzene, 98%

CAS: 5153-40-2 Molecular Formula: C11H15Br Molecular Weight (g/mol): 227.15 MDL Number: MFCD00013523 InChI Key: XPDQRULPGCFCLX-UHFFFAOYSA-N Synonym: bromopentamethylbenzene,benzene, bromopentamethyl,pentamethylbromobenzene,1-bromopentamethylbenzene,1-bromo-2,3,4,5,6-pentamethyl-benzene,brompentamethylbenzol,maybridge1_002545,ksc273s6f,acmc-1b227,5-bromo-1,2,3,4,6-pentamethylbenzene PubChem CID: 78831 IUPAC Name: 1-bromo-2,3,4,5,6-pentamethylbenzene SMILES: CC1=C(C)C(C)=C(Br)C(C)=C1C

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Specifications

PubChem CID	78831
CAS	5153-40-2
Molecular Weight (g/mol)	227.15
MDL Number	MFCD00013523
SMILES	CC1=C(C)C(C)=C(Br)C(C)=C1C
Synonym	bromopentamethylbenzene,benzene, bromopentamethyl,pentamethylbromobenzene,1-bromopentamethylbenzene,1-bromo-2,3,4,5,6-pentamethyl-benzene,brompentamethylbenzol,maybridge1_002545,ksc273s6f,acmc-1b227,5-bromo-1,2,3,4,6-pentamethylbenzene
IUPAC Name	1-bromo-2,3,4,5,6-pentamethylbenzene
InChI Key	XPDQRULPGCFCLX-UHFFFAOYSA-N
Molecular Formula	C11H15Br

2,724

4-Bromo-2-nitrotoluene, 99%

CAS: 60956-26-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00041243 InChI Key: KZNXALJXBRSMFL-UHFFFAOYSA-N Synonym: 4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072 PubChem CID: 123546 IUPAC Name: 4-bromo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)Br)[N+](=O)[O-]

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Specifications

PubChem CID	123546
CAS	60956-26-5
Molecular Weight (g/mol)	216.034
MDL Number	MFCD00041243
SMILES	CC1=C(C=C(C=C1)Br)[N+](=O)[O-]
Synonym	4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072
IUPAC Name	4-bromo-1-methyl-2-nitrobenzene
InChI Key	KZNXALJXBRSMFL-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

2,725

4-Iodobenzonitrile, 98%

CAS: 3058-39-7 Molecular Formula: C7H4IN Molecular Weight (g/mol): 229.02 MDL Number: MFCD00051310 InChI Key: XOKDXPVXJWTSRM-UHFFFAOYSA-N Synonym: p-iodobenzonitrile,benzonitrile, 4-iodo,p-cyanoiodobenzene,benzonitrile, p-iodo,1-cyano-4-iodobenzene,4-cyanoiodobenzene,4-iodo-benzonitrile,4-iodobenzenecarbonitrile,4-iodbenzonitril,4-iodo benzonitrile PubChem CID: 76467 IUPAC Name: 4-iodobenzonitrile SMILES: IC1=CC=C(C=C1)C#N

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Specifications

PubChem CID	76467
CAS	3058-39-7
Molecular Weight (g/mol)	229.02
MDL Number	MFCD00051310
SMILES	IC1=CC=C(C=C1)C#N
Synonym	p-iodobenzonitrile,benzonitrile, 4-iodo,p-cyanoiodobenzene,benzonitrile, p-iodo,1-cyano-4-iodobenzene,4-cyanoiodobenzene,4-iodo-benzonitrile,4-iodobenzenecarbonitrile,4-iodbenzonitril,4-iodo benzonitrile
IUPAC Name	4-iodobenzonitrile
InChI Key	XOKDXPVXJWTSRM-UHFFFAOYSA-N
Molecular Formula	C7H4IN

2,726

5-chloro-2-nitro-4-(trifluoromethyl)aniline, 97%, Thermo Scientific™

CAS: 35375-74-7 Molecular Formula: C7H4ClF3N2O2 Molecular Weight (g/mol): 240.566 MDL Number: MFCD01312277 InChI Key: AAMCWLIPRMIPBN-UHFFFAOYSA-N Synonym: 5-chloro-2-nitro-4-trifluoromethyl aniline,4-amino-2-chloro-5-nitrobenzotrifluoride,5-chloro-2-nitro-4-trifluoromethyl benzenamine,3-chloro-6-nitro-4-trifluoromethyl aniline,5-chloro-2-nitro-4-trifluoromethyl-phenylamine,5-chloro-2-nitro-4-trifluoromethyl phenylamine,5-chloro-4-trifluoromethyl-2-nitroaniline,benzenamine, 5-chloro-2-nitro-4-trifluoromethyl,5-chloro-2-nitro-4-trifluoromethylphenyl amine,pubchem2803 PubChem CID: 2773813 IUPAC Name: 5-chloro-2-nitro-4-(trifluoromethyl)aniline SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])N)Cl)C(F)(F)F

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Specifications

PubChem CID	2773813
CAS	35375-74-7
Molecular Weight (g/mol)	240.566
MDL Number	MFCD01312277
SMILES	C1=C(C(=CC(=C1[N+](=O)[O-])N)Cl)C(F)(F)F
Synonym	5-chloro-2-nitro-4-trifluoromethyl aniline,4-amino-2-chloro-5-nitrobenzotrifluoride,5-chloro-2-nitro-4-trifluoromethyl benzenamine,3-chloro-6-nitro-4-trifluoromethyl aniline,5-chloro-2-nitro-4-trifluoromethyl-phenylamine,5-chloro-2-nitro-4-trifluoromethyl phenylamine,5-chloro-4-trifluoromethyl-2-nitroaniline,benzenamine, 5-chloro-2-nitro-4-trifluoromethyl,5-chloro-2-nitro-4-trifluoromethylphenyl amine,pubchem2803
IUPAC Name	5-chloro-2-nitro-4-(trifluoromethyl)aniline
InChI Key	AAMCWLIPRMIPBN-UHFFFAOYSA-N
Molecular Formula	C7H4ClF3N2O2

2,727

N-Methyl-3-phenoxybenzylamine, 97%, Thermo Scientific™

CAS: 129535-78-0 Molecular Formula: C14H15NO Molecular Weight (g/mol): 213.28 MDL Number: MFCD02089413 InChI Key: GDVLOOQWWBPGSV-UHFFFAOYSA-N Synonym: n-methyl-3-phenoxybenzylamine,n-methyl-1-3-phenoxyphenyl methanamine,methyl 3-phenoxyphenyl methyl amine,n-methyl-3-phenoxybenzenemethanamine,benzenemethanamine, n-methyl-3-phenoxy,acmc-209bgx,benzenemethanamine,n-methyl-3-phenoxy PubChem CID: 10512764 IUPAC Name: N-methyl-1-(3-phenoxyphenyl)methanamine SMILES: CNCC1=CC(=CC=C1)OC2=CC=CC=C2

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Specifications

PubChem CID	10512764
CAS	129535-78-0
Molecular Weight (g/mol)	213.28
MDL Number	MFCD02089413
SMILES	CNCC1=CC(=CC=C1)OC2=CC=CC=C2
Synonym	n-methyl-3-phenoxybenzylamine,n-methyl-1-3-phenoxyphenyl methanamine,methyl 3-phenoxyphenyl methyl amine,n-methyl-3-phenoxybenzenemethanamine,benzenemethanamine, n-methyl-3-phenoxy,acmc-209bgx,benzenemethanamine,n-methyl-3-phenoxy
IUPAC Name	N-methyl-1-(3-phenoxyphenyl)methanamine
InChI Key	GDVLOOQWWBPGSV-UHFFFAOYSA-N
Molecular Formula	C14H15NO

2,728

Benzyl methyl ether, 97%

CAS: 538-86-3 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00025901 InChI Key: GQKZBCPTCWJTAS-UHFFFAOYSA-N Synonym: benzyl methyl ether,methoxymethyl benzene,methyl benzyl ether,benzene, methoxymethyl,ether, benzyl methyl,benzylmethylether,unii-f22rls78bd,.alpha.-methoxytoluene,f22rls78bd,methoxyphenylmethane PubChem CID: 10869 IUPAC Name: methoxymethylbenzene SMILES: COCC1=CC=CC=C1

Pricing & Availability
Specifications

PubChem CID	10869
CAS	538-86-3
Molecular Weight (g/mol)	122.167
MDL Number	MFCD00025901
SMILES	COCC1=CC=CC=C1
Synonym	benzyl methyl ether,methoxymethyl benzene,methyl benzyl ether,benzene, methoxymethyl,ether, benzyl methyl,benzylmethylether,unii-f22rls78bd,.alpha.-methoxytoluene,f22rls78bd,methoxyphenylmethane
IUPAC Name	methoxymethylbenzene
InChI Key	GQKZBCPTCWJTAS-UHFFFAOYSA-N
Molecular Formula	C8H10O

2,729

tert-Butyl N-[4-(aminomethyl)phenyl]carbamate, 97%, Thermo Scientific™

CAS: 220298-96-4 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.29 MDL Number: MFCD02183573 InChI Key: URXUHALBOWYXJZ-UHFFFAOYSA-N Synonym: tert-butyl n-4-aminomethyl phenyl carbamate,4-aminomethyl-1-n-boc-aniline,tert-butyl 4-aminomethyl phenyl carbamate,4-boc-amino benzylamine,4-aminomethy-1-n-boc-aniline,4-n-boc-amino benzylamine,4-tert-butoxycarbonylamino benzylamine,4-aminomethyl-n-boc-aniline,tert-butyl-n-4-aminomethyl phenyl carbamate PubChem CID: 2794659 IUPAC Name: tert-butyl N-[4-(aminomethyl)phenyl]carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1

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Specifications

PubChem CID	2794659
CAS	220298-96-4
Molecular Weight (g/mol)	222.29
MDL Number	MFCD02183573
SMILES	CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1
Synonym	tert-butyl n-4-aminomethyl phenyl carbamate,4-aminomethyl-1-n-boc-aniline,tert-butyl 4-aminomethyl phenyl carbamate,4-boc-amino benzylamine,4-aminomethy-1-n-boc-aniline,4-n-boc-amino benzylamine,4-tert-butoxycarbonylamino benzylamine,4-aminomethyl-n-boc-aniline,tert-butyl-n-4-aminomethyl phenyl carbamate
IUPAC Name	tert-butyl N-[4-(aminomethyl)phenyl]carbamate
InChI Key	URXUHALBOWYXJZ-UHFFFAOYSA-N
Molecular Formula	C12H18N2O2

2,730

4-Bromobenzaldehyde diethyl acetal, 98%, Thermo Scientific Chemicals

CAS: 34421-94-8 Molecular Formula: C11H15BrO2 Molecular Weight (g/mol): 259.14 MDL Number: MFCD01863514 InChI Key: BFSNEBVTOODGHZ-UHFFFAOYSA-N Synonym: 4-bromobenzaldehyde diethyl acetal,1-bromo-4-diethoxymethyl benzene,4-bromobenzaldehydediethylacetal,benzene, 1-bromo-4-diethoxymethyl,4-bromophenyl diethoxymethane,4-bromobenzaldehyde diethylacetal,4-bromo-alpha,alpha-diethoxytoluene,pubchem5372,acmc-1aigt,4-bromobenzaldehydediethyl acetal PubChem CID: 688340 IUPAC Name: 1-bromo-4-(diethoxymethyl)benzene SMILES: CCOC(OCC)C1=CC=C(Br)C=C1

Pricing & Availability
Specifications

PubChem CID	688340
CAS	34421-94-8
Molecular Weight (g/mol)	259.14
MDL Number	MFCD01863514
SMILES	CCOC(OCC)C1=CC=C(Br)C=C1
Synonym	4-bromobenzaldehyde diethyl acetal,1-bromo-4-diethoxymethyl benzene,4-bromobenzaldehydediethylacetal,benzene, 1-bromo-4-diethoxymethyl,4-bromophenyl diethoxymethane,4-bromobenzaldehyde diethylacetal,4-bromo-alpha,alpha-diethoxytoluene,pubchem5372,acmc-1aigt,4-bromobenzaldehydediethyl acetal
IUPAC Name	1-bromo-4-(diethoxymethyl)benzene
InChI Key	BFSNEBVTOODGHZ-UHFFFAOYSA-N
Molecular Formula	C11H15BrO2

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Benzene and substituted derivatives

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