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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2,551 – 2,565 of 64,662 results

2,551

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2-Formylphenylboronic acid pinacol ester, 97%

CAS: 380151-85-9 Molecular Formula: C13H17BO3 Molecular Weight (g/mol): 232.09 MDL Number: MFCD07363841 InChI Key: SLJMPQLPRHIAOM-UHFFFAOYSA-N Synonym: 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-formylphenylboronic acid pinacol ester,2-formylphenyl boronic acid pinacol ester,2-formylphenylboronic acid, pinacol ester,2-formylbenzeneboronic acid pinacol ester,2-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-2-formylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzaldehyde,amtb063,2-boronobenzaldehyde, pinacol ester PubChem CID: 10977322 IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC=C1C=O

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PubChem CID	10977322
CAS	380151-85-9
Molecular Weight (g/mol)	232.09
MDL Number	MFCD07363841
SMILES	CC1(C)OB(OC1(C)C)C1=CC=CC=C1C=O
Synonym	2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-formylphenylboronic acid pinacol ester,2-formylphenyl boronic acid pinacol ester,2-formylphenylboronic acid, pinacol ester,2-formylbenzeneboronic acid pinacol ester,2-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-2-formylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzaldehyde,amtb063,2-boronobenzaldehyde, pinacol ester
IUPAC Name	2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI Key	SLJMPQLPRHIAOM-UHFFFAOYSA-N
Molecular Formula	C13H17BO3

2,552

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2,2'-Dichlorobenzophenone, 98+%

CAS: 5293-97-0 Molecular Formula: C13H8Cl2O Molecular Weight (g/mol): 251.106 MDL Number: MFCD00039303 InChI Key: DRDRZHJTTDSOPK-UHFFFAOYSA-N Synonym: 2,2'-dichlorobenzophenone,bis 2-chlorophenyl methanone,methanone, bis 2-chlorophenyl,unii-5y7f5u8ant,5y7f5u8ant,benzophenone, 2,2'-dichloro,bis 2-chlorophenyl ketone,acmc-1ao0c,benzophenone,2'-dichloro,2,2-dichlorobenzophenone PubChem CID: 347097 IUPAC Name: bis(2-chlorophenyl)methanone SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2Cl)Cl

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PubChem CID	347097
CAS	5293-97-0
Molecular Weight (g/mol)	251.106
MDL Number	MFCD00039303
SMILES	C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2Cl)Cl
Synonym	2,2'-dichlorobenzophenone,bis 2-chlorophenyl methanone,methanone, bis 2-chlorophenyl,unii-5y7f5u8ant,5y7f5u8ant,benzophenone, 2,2'-dichloro,bis 2-chlorophenyl ketone,acmc-1ao0c,benzophenone,2'-dichloro,2,2-dichlorobenzophenone
IUPAC Name	bis(2-chlorophenyl)methanone
InChI Key	DRDRZHJTTDSOPK-UHFFFAOYSA-N
Molecular Formula	C13H8Cl2O

2,553

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2-Bromo-4-methylaniline, 99%

CAS: 583-68-6 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.052 MDL Number: MFCD00007635 InChI Key: UVRRJILIXQAAFK-UHFFFAOYSA-N Synonym: 2-bromo-p-toluidine,benzenamine, 2-bromo-4-methyl,4-amino-3-bromotoluene,2-bromo-4-methylbenzenamine,p-toluidine, 2-bromo,2-bromo-4-methyl-phenylamine,3-bromo-4-aminotoluene,4-methyl-2-bromoaniline,2-bromo-4-methyl aniline,2-bromo-4-methyl-aniline PubChem CID: 11422 IUPAC Name: 2-bromo-4-methylaniline SMILES: CC1=CC(=C(C=C1)N)Br

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Specifications

PubChem CID	11422
CAS	583-68-6
Molecular Weight (g/mol)	186.052
MDL Number	MFCD00007635
SMILES	CC1=CC(=C(C=C1)N)Br
Synonym	2-bromo-p-toluidine,benzenamine, 2-bromo-4-methyl,4-amino-3-bromotoluene,2-bromo-4-methylbenzenamine,p-toluidine, 2-bromo,2-bromo-4-methyl-phenylamine,3-bromo-4-aminotoluene,4-methyl-2-bromoaniline,2-bromo-4-methyl aniline,2-bromo-4-methyl-aniline
IUPAC Name	2-bromo-4-methylaniline
InChI Key	UVRRJILIXQAAFK-UHFFFAOYSA-N
Molecular Formula	C7H8BrN

2,554

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2-Fluoro-5-methylsulphonylnitrobenzene, 95%, Thermo Scientific™

CAS: 453-72-5 Molecular Formula: C7H6FNO4S Molecular Weight (g/mol): 219.19 MDL Number: MFCD00025066 InChI Key: OUSNDSFSTBZESM-UHFFFAOYSA-N Synonym: 4-methylsulfonyl-2-nitrofluorobenzene,1-fluoro-4-methylsulfonyl-2-nitrobenzene,1-fluoro-4-methanesulfonyl-2-nitrobenzene,2-fluoro-5-methyl sulfonyl nitrobenzene,2-fluoro-5-methylsulphonylnitrobenzene,4-fluoro-3-nitrophenyl methyl sulfone,benzene,1-fluoro-4-methylsulfonyl-2-nitro,2-fluoro-5-methylsulfonylnitrobenzene,2-fluoro-5-methylsulphonyl nitrobenzene,1-fluoro-4-methylsulfonyl-2-nitro-benzene PubChem CID: 313137 IUPAC Name: 1-fluoro-4-methanesulfonyl-2-nitrobenzene SMILES: CS(=O)(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	313137
CAS	453-72-5
Molecular Weight (g/mol)	219.19
MDL Number	MFCD00025066
SMILES	CS(=O)(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym	4-methylsulfonyl-2-nitrofluorobenzene,1-fluoro-4-methylsulfonyl-2-nitrobenzene,1-fluoro-4-methanesulfonyl-2-nitrobenzene,2-fluoro-5-methyl sulfonyl nitrobenzene,2-fluoro-5-methylsulphonylnitrobenzene,4-fluoro-3-nitrophenyl methyl sulfone,benzene,1-fluoro-4-methylsulfonyl-2-nitro,2-fluoro-5-methylsulfonylnitrobenzene,2-fluoro-5-methylsulphonyl nitrobenzene,1-fluoro-4-methylsulfonyl-2-nitro-benzene
IUPAC Name	1-fluoro-4-methanesulfonyl-2-nitrobenzene
InChI Key	OUSNDSFSTBZESM-UHFFFAOYSA-N
Molecular Formula	C7H6FNO4S

2,555

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4-(Boc-aminomethyl)-3-fluorobenzeneboronic acid pinacol ester, 96%, Thermo Scientific Chemicals

CAS: 1351501-44-4 Molecular Formula: C18H27BFNO4 Molecular Weight (g/mol): 351.225 InChI Key: SAUVAJYHMCIQNE-UHFFFAOYSA-N Synonym: 4-(Boc-aminomethyl)-3-fluorophenylboronic acid pinacol ester PubChem CID: 66980292 IUPAC Name: tert-butyl N-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CNC(=O)OC(C)(C)C)F

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Specifications

PubChem CID	66980292
CAS	1351501-44-4
Molecular Weight (g/mol)	351.225
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CNC(=O)OC(C)(C)C)F
Synonym	4-(Boc-aminomethyl)-3-fluorophenylboronic acid pinacol ester
IUPAC Name	tert-butyl N-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
InChI Key	SAUVAJYHMCIQNE-UHFFFAOYSA-N
Molecular Formula	C18H27BFNO4

2,556

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4-Fluoro-2-(trifluoromethyl)benzyl bromide, 98%, Thermo Scientific™

CAS: 206860-48-2 Molecular Formula: C₈H₅BrF₄ Molecular Weight (g/mol): 257.03 InChI Key: JMNOONULDANZRZ-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl benzyl bromide,1-bromomethyl-4-fluoro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-fluoro-2-trifluoromethyl,alpha-bromo-4-fluoro-2-trifluoromethyl toluene,1-bromomethyl-4-fluoro-2-trifluoromethyl-benzene,pubchem4642,acmc-20ai28,4-fluoro-2-trifluoromethylbenzyl bromide,4-fluoro-2-trifluoromethyl-benzyl bromide PubChem CID: 2737576 IUPAC Name: 1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1F)C(F)(F)F)CBr

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Specifications

PubChem CID	2737576
CAS	206860-48-2
Molecular Weight (g/mol)	257.03
SMILES	C1=CC(=C(C=C1F)C(F)(F)F)CBr
Synonym	4-fluoro-2-trifluoromethyl benzyl bromide,1-bromomethyl-4-fluoro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-fluoro-2-trifluoromethyl,alpha-bromo-4-fluoro-2-trifluoromethyl toluene,1-bromomethyl-4-fluoro-2-trifluoromethyl-benzene,pubchem4642,acmc-20ai28,4-fluoro-2-trifluoromethylbenzyl bromide,4-fluoro-2-trifluoromethyl-benzyl bromide
IUPAC Name	1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene
InChI Key	JMNOONULDANZRZ-UHFFFAOYSA-N
Molecular Formula	C₈H₅BrF₄

2,557

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4-Chlorobenzamide, 98+%

CAS: 619-56-7 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.58 MDL Number: MFCD00007993 InChI Key: BLNVISNJTIRAHF-UHFFFAOYSA-N Synonym: p-chlorobenzamide,benzamide, 4-chloro,4-chloro-benzamide,p-chlorobenzoic acid amide,benzamide, p-chloro,unii-260cv6k0mr,benzamide, p-chloro-6ci,7ci,8ci,4-chloranylbenzamide,pubchem3619,4-chlorobenzenecarboxamide PubChem CID: 12084 IUPAC Name: 4-chlorobenzamide SMILES: NC(=O)C1=CC=C(Cl)C=C1

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Specifications

PubChem CID	12084
CAS	619-56-7
Molecular Weight (g/mol)	155.58
MDL Number	MFCD00007993
SMILES	NC(=O)C1=CC=C(Cl)C=C1
Synonym	p-chlorobenzamide,benzamide, 4-chloro,4-chloro-benzamide,p-chlorobenzoic acid amide,benzamide, p-chloro,unii-260cv6k0mr,benzamide, p-chloro-6ci,7ci,8ci,4-chloranylbenzamide,pubchem3619,4-chlorobenzenecarboxamide
IUPAC Name	4-chlorobenzamide
InChI Key	BLNVISNJTIRAHF-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO

2,558

(4-thien-2-ylphenyl)methanol, Thermo Scientific™

CAS: 81443-44-9 Molecular Formula: C11H10OS Molecular Weight (g/mol): 190.26 InChI Key: KHZSWSHUIYOMSH-UHFFFAOYSA-N Synonym: 4-thien-2-ylphenyl methanol,4-thiophen-2-yl phenyl methanol,thiophene,2-4-methylphenyl,benzenemethanol, 4-2-thienyl,4-thien-2-yl-phenyl methanol,pubchem24308,4-2-thienyl benzyl alcohol,4-thien-2-yl benzyl alcohol,4-2-thienyl phenyl methanol PubChem CID: 2795254 IUPAC Name: (4-thiophen-2-ylphenyl)methanol SMILES: C1=CSC(=C1)C2=CC=C(C=C2)CO

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Specifications

PubChem CID	2795254
CAS	81443-44-9
Molecular Weight (g/mol)	190.26
SMILES	C1=CSC(=C1)C2=CC=C(C=C2)CO
Synonym	4-thien-2-ylphenyl methanol,4-thiophen-2-yl phenyl methanol,thiophene,2-4-methylphenyl,benzenemethanol, 4-2-thienyl,4-thien-2-yl-phenyl methanol,pubchem24308,4-2-thienyl benzyl alcohol,4-thien-2-yl benzyl alcohol,4-2-thienyl phenyl methanol
IUPAC Name	(4-thiophen-2-ylphenyl)methanol
InChI Key	KHZSWSHUIYOMSH-UHFFFAOYSA-N
Molecular Formula	C11H10OS

2,559

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3-Aminobenzyl alcohol, 97%

CAS: 1877-77-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00007817 InChI Key: OJZQOQNSUZLSMV-UHFFFAOYSA-N Synonym: 3-aminobenzyl alcohol,3-aminophenyl methanol,m-aminobenzyl alcohol,3-aminobenzylalcohol,3-hydroxymethyl aniline,benzenemethanol, 3-amino,benzyl alcohol, m-amino,3-aminobenzenemethanol,unii-kn96abq0sp,m-aminophenylcarbinol PubChem CID: 80293 IUPAC Name: (3-aminophenyl)methanol SMILES: NC1=CC=CC(CO)=C1

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Specifications

PubChem CID	80293
CAS	1877-77-6
Molecular Weight (g/mol)	123.16
MDL Number	MFCD00007817
SMILES	NC1=CC=CC(CO)=C1
Synonym	3-aminobenzyl alcohol,3-aminophenyl methanol,m-aminobenzyl alcohol,3-aminobenzylalcohol,3-hydroxymethyl aniline,benzenemethanol, 3-amino,benzyl alcohol, m-amino,3-aminobenzenemethanol,unii-kn96abq0sp,m-aminophenylcarbinol
IUPAC Name	(3-aminophenyl)methanol
InChI Key	OJZQOQNSUZLSMV-UHFFFAOYSA-N
Molecular Formula	C7H9NO

2,560

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3-Fluoro-2-methylbenzeneboronic acid, 98%, Thermo Scientific Chemicals

CAS: 163517-61-1 Molecular Formula: C7H8BFO2 Molecular Weight (g/mol): 153.947 MDL Number: MFCD07368679 InChI Key: NYBIUWJUWTUGFV-UHFFFAOYSA-N Synonym: 3-fluoro-2-methylphenyl boronic acid,2-methyl-3-fluoro-phenylboronic acid,3-fluoro-2-methylbenzeneboronic acid,3-fluoro-o-tolylboronic acid,boronic acid, 3-fluoro-2-methylphenyl,boronic acid,b-3-fluoro-2-methylphenyl,3-fluoro-2-methyl-phenyl boronic acid,2-borono-6-fluorotoluene,acmc-1c5qk,2-methyl-3-fluorophenylboronic acid PubChem CID: 2783191 IUPAC Name: (3-fluoro-2-methylphenyl)boronic acid SMILES: B(C1=C(C(=CC=C1)F)C)(O)O

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Specifications

PubChem CID	2783191
CAS	163517-61-1
Molecular Weight (g/mol)	153.947
MDL Number	MFCD07368679
SMILES	B(C1=C(C(=CC=C1)F)C)(O)O
Synonym	3-fluoro-2-methylphenyl boronic acid,2-methyl-3-fluoro-phenylboronic acid,3-fluoro-2-methylbenzeneboronic acid,3-fluoro-o-tolylboronic acid,boronic acid, 3-fluoro-2-methylphenyl,boronic acid,b-3-fluoro-2-methylphenyl,3-fluoro-2-methyl-phenyl boronic acid,2-borono-6-fluorotoluene,acmc-1c5qk,2-methyl-3-fluorophenylboronic acid
IUPAC Name	(3-fluoro-2-methylphenyl)boronic acid
InChI Key	NYBIUWJUWTUGFV-UHFFFAOYSA-N
Molecular Formula	C7H8BFO2

2,561

3-Bromo-4-fluoro-1,1'-biphenyl, 97%, Thermo Scientific™

CAS: 306935-88-6 Molecular Formula: C12H8BrF Molecular Weight (g/mol): 251.098 MDL Number: MFCD01571091 InChI Key: COWXPZSVUXHAFS-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorobiphenyl,3-bromo-4-fluoro-1,1'-biphenyl,acmc-20an8u,1,1'-biphenyl,3-bromo-4-fluoro,2-bromanyl-1-fluoranyl-4-phenyl-benzene PubChem CID: 2773367 IUPAC Name: 2-bromo-1-fluoro-4-phenylbenzene SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)F)Br

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Specifications

PubChem CID	2773367
CAS	306935-88-6
Molecular Weight (g/mol)	251.098
MDL Number	MFCD01571091
SMILES	C1=CC=C(C=C1)C2=CC(=C(C=C2)F)Br
Synonym	3-bromo-4-fluorobiphenyl,3-bromo-4-fluoro-1,1'-biphenyl,acmc-20an8u,1,1'-biphenyl,3-bromo-4-fluoro,2-bromanyl-1-fluoranyl-4-phenyl-benzene
IUPAC Name	2-bromo-1-fluoro-4-phenylbenzene
InChI Key	COWXPZSVUXHAFS-UHFFFAOYSA-N
Molecular Formula	C12H8BrF

2,562

[3-(1H-Imidazol-1-ylmethyl)phenyl]methanol, ≥97%, Thermo Scientific™

CAS: 151055-79-7 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD08271918 InChI Key: TXQZIKDWFOLTSC-UHFFFAOYSA-N PubChem CID: 10397593 IUPAC Name: [3-(imidazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC(=CC(=C1)CO)CN2C=CN=C2

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Specifications

PubChem CID	10397593
CAS	151055-79-7
Molecular Weight (g/mol)	188.23
MDL Number	MFCD08271918
SMILES	C1=CC(=CC(=C1)CO)CN2C=CN=C2
IUPAC Name	[3-(imidazol-1-ylmethyl)phenyl]methanol
InChI Key	TXQZIKDWFOLTSC-UHFFFAOYSA-N
Molecular Formula	C11H12N2O

2,563

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o-Xylylene dibromide, 97%

CAS: 91-13-4 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000175 InChI Key: KGKAYWMGPDWLQZ-UHFFFAOYSA-N Synonym: 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776 PubChem CID: 66665 IUPAC Name: 1,2-bis(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)CBr

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Specifications

PubChem CID	66665
CAS	91-13-4
Molecular Weight (g/mol)	263.96
MDL Number	MFCD00000175
SMILES	C1=CC=C(C(=C1)CBr)CBr
Synonym	1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776
IUPAC Name	1,2-bis(bromomethyl)benzene
InChI Key	KGKAYWMGPDWLQZ-UHFFFAOYSA-N
Molecular Formula	C8H8Br2

2,564

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o-Tolualdehyde, 98%, stab. with 0.1% hydroquinone

CAS: 529-20-4 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00003338 InChI Key: BTFQKIATRPGRBS-UHFFFAOYSA-N Synonym: o-tolualdehyde,2-tolualdehyde,2-formyltoluene,o-toluylaldehyde,o-toluic aldehyde,o-tolylaldehyde,o-methylbenzaldehyde,benzaldehyde, 2-methyl,2-methyl-benzaldehyde,o-methylbenazldehyde PubChem CID: 10722 ChEBI: CHEBI:27434 IUPAC Name: 2-methylbenzaldehyde SMILES: CC1=CC=CC=C1C=O

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Specifications

PubChem CID	10722
CAS	529-20-4
Molecular Weight (g/mol)	120.151
ChEBI	CHEBI:27434
MDL Number	MFCD00003338
SMILES	CC1=CC=CC=C1C=O
Synonym	o-tolualdehyde,2-tolualdehyde,2-formyltoluene,o-toluylaldehyde,o-toluic aldehyde,o-tolylaldehyde,o-methylbenzaldehyde,benzaldehyde, 2-methyl,2-methyl-benzaldehyde,o-methylbenazldehyde
IUPAC Name	2-methylbenzaldehyde
InChI Key	BTFQKIATRPGRBS-UHFFFAOYSA-N
Molecular Formula	C8H8O

2,565

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2,5-Dibromoaniline, 97%

CAS: 3638-73-1 Molecular Formula: C₆H₅Br₂N Molecular Weight (g/mol): 250.92 MDL Number: MFCD00007636 InChI Key: WRTAZRGRFBCKBU-UHFFFAOYSA-N Synonym: 2,5-dibromobenzenamine,benzenamine, 2,5-dibromo,2,5-dibromophenylamine,rarechem fh 1w 0043,pubchem3452,2,5-dibromo-phenylamine,aniline, 2,5-dibromo,2,5-bis bromanyl aniline,acmc-209im6,2,5-dibromoaniline PubChem CID: 77198 IUPAC Name: 2,5-dibromoaniline SMILES: C1=CC(=C(C=C1Br)N)Br

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Specifications

PubChem CID	77198
CAS	3638-73-1
Molecular Weight (g/mol)	250.92
MDL Number	MFCD00007636
SMILES	C1=CC(=C(C=C1Br)N)Br
Synonym	2,5-dibromobenzenamine,benzenamine, 2,5-dibromo,2,5-dibromophenylamine,rarechem fh 1w 0043,pubchem3452,2,5-dibromo-phenylamine,aniline, 2,5-dibromo,2,5-bis bromanyl aniline,acmc-209im6,2,5-dibromoaniline
IUPAC Name	2,5-dibromoaniline
InChI Key	WRTAZRGRFBCKBU-UHFFFAOYSA-N
Molecular Formula	C₆H₅Br₂N

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Benzene and substituted derivatives

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