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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901 – 915 of 64,632 results

901

2-(Diphenylphosphino)benzaldehyde, 97%

CAS: 50777-76-9 Molecular Formula: C19H15OP Molecular Weight (g/mol): 290.30 MDL Number: MFCD00013367 InChI Key: DRCPJRZHAJMWOU-UHFFFAOYSA-N Synonym: 2-diphenylphosphino benzaldehyde,2-diphenylphosphinobenzaldehyde,o-diphenylphosphino benzaldehyde,2-formylphenyl diphenylphosphine,2-diphenylphosphanyl benzaldehyde,benzaldehyde, 2-diphenylphosphino,dppbde,zlchem 984,2-formylphenyldiphenylphosphine PubChem CID: 2754316 IUPAC Name: 2-diphenylphosphanylbenzaldehyde SMILES: O=CC1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2754316
CAS	50777-76-9
Molecular Weight (g/mol)	290.30
MDL Number	MFCD00013367
SMILES	O=CC1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	2-diphenylphosphino benzaldehyde,2-diphenylphosphinobenzaldehyde,o-diphenylphosphino benzaldehyde,2-formylphenyl diphenylphosphine,2-diphenylphosphanyl benzaldehyde,benzaldehyde, 2-diphenylphosphino,dppbde,zlchem 984,2-formylphenyldiphenylphosphine
IUPAC Name	2-diphenylphosphanylbenzaldehyde
InChI Key	DRCPJRZHAJMWOU-UHFFFAOYSA-N
Molecular Formula	C19H15OP

902

LiChropur™ Benzylamine, For GC Derivatization, 99.0%, MilliporeSigma™ Supelco™

CAS: 100-46-9 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00008106 InChI Key: WGQKYBSKWIADBV-UHFFFAOYSA-N Synonym: alpha-Aminotoluene IUPAC Name: 1-phenylmethanamine SMILES: NCC1=CC=CC=C1

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Specifications

CAS	100-46-9
Molecular Weight (g/mol)	107.16
MDL Number	MFCD00008106
SMILES	NCC1=CC=CC=C1
Synonym	alpha-Aminotoluene
IUPAC Name	1-phenylmethanamine
InChI Key	WGQKYBSKWIADBV-UHFFFAOYSA-N
Molecular Formula	C7H9N

903

(S)-(-)-2-Methyl-CBS-oxazaborolidine, 1M solution in toluene, Thermo Scientific Chemicals

CAS: 112022-81-8 Molecular Formula: C18H20BNO Molecular Weight (g/mol): 277.17 MDL Number: MFCD00078439 InChI Key: VMKAFJQFKBASMU-KRWDZBQOSA-N Synonym: s-2-methyl-cbs-oxazaborolidine,s-methyl oxazaborolidine,s---2-methyl-cbs-oxazaborolidine,s-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,corey catalyst,s-methyl-cbs-oxazaborolidine,s-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,s-me-cbs catalyst,s-methyl-cbs,s-me-cbs PubChem CID: 2734713 IUPAC Name: (3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole SMILES: [H][C@@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2734713
CAS	112022-81-8
Molecular Weight (g/mol)	277.17
MDL Number	MFCD00078439
SMILES	[H][C@@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	s-2-methyl-cbs-oxazaborolidine,s-methyl oxazaborolidine,s---2-methyl-cbs-oxazaborolidine,s-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,corey catalyst,s-methyl-cbs-oxazaborolidine,s-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,s-me-cbs catalyst,s-methyl-cbs,s-me-cbs
IUPAC Name	(3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
InChI Key	VMKAFJQFKBASMU-KRWDZBQOSA-N
Molecular Formula	C18H20BNO

904

1'-Acetonaphthone, 95%

CAS: 941-98-0 Molecular Formula: C₁₂H₁₀O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00004013 InChI Key: QQLIGMASAVJVON-UHFFFAOYSA-N Synonym: 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone PubChem CID: 13663 IUPAC Name: 1-naphthalen-1-ylethanone SMILES: CC(=O)C1=CC=CC2=CC=CC=C21

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Specifications

PubChem CID	13663
CAS	941-98-0
Molecular Weight (g/mol)	170.21
MDL Number	MFCD00004013
SMILES	CC(=O)C1=CC=CC2=CC=CC=C21
Synonym	1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone
IUPAC Name	1-naphthalen-1-ylethanone
InChI Key	QQLIGMASAVJVON-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₀O

905

3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%

CAS: 16588-74-2 Molecular Formula: C₉H₃F₆NO Molecular Weight (g/mol): 255.12 MDL Number: MFCD00013559 InChI Key: NRSSOFNMWSJECS-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate PubChem CID: 2733314 IUPAC Name: 1-isocyanato-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F

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Specifications

PubChem CID	2733314
CAS	16588-74-2
Molecular Weight (g/mol)	255.12
MDL Number	MFCD00013559
SMILES	C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F
Synonym	3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate
IUPAC Name	1-isocyanato-3,5-bis(trifluoromethyl)benzene
InChI Key	NRSSOFNMWSJECS-UHFFFAOYSA-N
Molecular Formula	C₉H₃F₆NO

906

Methyl 4-(bromomethyl)benzoate, 98%

CAS: 2417-72-3 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00032453 InChI Key: NLWBJPPMPLPZIE-UHFFFAOYSA-N PubChem CID: 256687 IUPAC Name: methyl 4-(bromomethyl)benzoate SMILES: COC(=O)C1=CC=C(CBr)C=C1

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Specifications

PubChem CID	256687
CAS	2417-72-3
Molecular Weight (g/mol)	229.07
MDL Number	MFCD00032453
SMILES	COC(=O)C1=CC=C(CBr)C=C1
IUPAC Name	methyl 4-(bromomethyl)benzoate
InChI Key	NLWBJPPMPLPZIE-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

907

2-Cyanobenzoic acid, 94%

CAS: 3839-22-3 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00045796 InChI Key: DTNSDCJFTHMDAK-UHFFFAOYSA-N Synonym: o-cyanobenzoic acid,cyanobenzoic acid,benzoic acid, 2-cyano,2-carboxybenzonitrile,2-carboxy-benzonitrile,2-cyanobenzoicacid,2-cyano-benzoic acid,pubchem12513,acmc-1bn2v PubChem CID: 138061 IUPAC Name: 2-cyanobenzoic acid SMILES: C1=CC=C(C(=C1)C#N)C(=O)O

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Specifications

PubChem CID	138061
CAS	3839-22-3
Molecular Weight (g/mol)	147.133
MDL Number	MFCD00045796
SMILES	C1=CC=C(C(=C1)C#N)C(=O)O
Synonym	o-cyanobenzoic acid,cyanobenzoic acid,benzoic acid, 2-cyano,2-carboxybenzonitrile,2-carboxy-benzonitrile,2-cyanobenzoicacid,2-cyano-benzoic acid,pubchem12513,acmc-1bn2v
IUPAC Name	2-cyanobenzoic acid
InChI Key	DTNSDCJFTHMDAK-UHFFFAOYSA-N
Molecular Formula	C8H5NO2

908

1-[4-(Trifluoromethyl)phenyl]ethanol, 96%

CAS: 1737-26-4 Molecular Formula: C9H9F3O Molecular Weight (g/mol): 190.165 MDL Number: MFCD00039618 InChI Key: YMXIDIAEXNLCFT-UHFFFAOYSA-N Synonym: 1-4-trifluoromethyl phenyl ethanol,1-4-trifluoromethyl phenyl ethan-1-ol,a-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethyl benzyl alcohol,acmc-1boxb,1-4-trifluoromethylphenyl-ethanol,1-4-trifluoromethyl-phenyl-ethanol,alpha-methyl-4 trifluoromethyl benzyl alcohol PubChem CID: 137186 IUPAC Name: 1-[4-(trifluoromethyl)phenyl]ethanol SMILES: CC(C1=CC=C(C=C1)C(F)(F)F)O

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Specifications

PubChem CID	137186
CAS	1737-26-4
Molecular Weight (g/mol)	190.165
MDL Number	MFCD00039618
SMILES	CC(C1=CC=C(C=C1)C(F)(F)F)O
Synonym	1-4-trifluoromethyl phenyl ethanol,1-4-trifluoromethyl phenyl ethan-1-ol,a-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethyl benzyl alcohol,acmc-1boxb,1-4-trifluoromethylphenyl-ethanol,1-4-trifluoromethyl-phenyl-ethanol,alpha-methyl-4 trifluoromethyl benzyl alcohol
IUPAC Name	1-[4-(trifluoromethyl)phenyl]ethanol
InChI Key	YMXIDIAEXNLCFT-UHFFFAOYSA-N
Molecular Formula	C9H9F3O

909

3,5-Difluorobenzeneboronic acid, 97+%

CAS: 156545-07-2 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.911 MDL Number: MFCD01318138 InChI Key: QWQBQRYFWNIDOC-UHFFFAOYSA-N Synonym: 3,5-difluorobenzeneboronic acid,3,5-difluorophenyl boronic acid,3,5-difluorophenyl boranediol,3,5-difluoro phenylboric acid,boronic acid, 3,5-difluorophenyl,3,5-difluorophenyl dihydroxyborane,3,5-difluoro phenylboronic acid,boronic acid, b-3,5-difluorophenyl,3,5-difluorophenylbornic acid PubChem CID: 2734338 IUPAC Name: (3,5-difluorophenyl)boronic acid SMILES: B(C1=CC(=CC(=C1)F)F)(O)O

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Specifications

PubChem CID	2734338
CAS	156545-07-2
Molecular Weight (g/mol)	157.911
MDL Number	MFCD01318138
SMILES	B(C1=CC(=CC(=C1)F)F)(O)O
Synonym	3,5-difluorobenzeneboronic acid,3,5-difluorophenyl boronic acid,3,5-difluorophenyl boranediol,3,5-difluoro phenylboric acid,boronic acid, 3,5-difluorophenyl,3,5-difluorophenyl dihydroxyborane,3,5-difluoro phenylboronic acid,boronic acid, b-3,5-difluorophenyl,3,5-difluorophenylbornic acid
IUPAC Name	(3,5-difluorophenyl)boronic acid
InChI Key	QWQBQRYFWNIDOC-UHFFFAOYSA-N
Molecular Formula	C6H5BF2O2

910

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

911

2,5-Difluorobenzylamine, 97%, Thermo Scientific™

CAS: 85118-06-5 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.14 MDL Number: MFCD00010143 InChI Key: GDFBHCMFIUBEQT-UHFFFAOYSA-N Synonym: 2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p PubChem CID: 123589 IUPAC Name: (2,5-difluorophenyl)methanamine SMILES: NCC1=CC(F)=CC=C1F

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Specifications

PubChem CID	123589
CAS	85118-06-5
Molecular Weight (g/mol)	143.14
MDL Number	MFCD00010143
SMILES	NCC1=CC(F)=CC=C1F
Synonym	2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p
IUPAC Name	(2,5-difluorophenyl)methanamine
InChI Key	GDFBHCMFIUBEQT-UHFFFAOYSA-N
Molecular Formula	C7H7F2N

912

2-Chloro-N-phenylbenzamide, 97%, Thermo Scientific Chemicals

CAS: 6833-13-2 Molecular Formula: C13H10ClNO Molecular Weight (g/mol): 231.68 MDL Number: MFCD00016336 InChI Key: AXQVIWHAEYLGLO-UHFFFAOYSA-N Synonym: 2-chlorobenzanilide,o-chlorobenzanilide,2-chlorobenzoanilide,benzamide, 2-chloro-n-phenyl,2-chlorobenzoic acid anilide,benzanilide, 2-chloro,n-phenyl-2-chlorobenzamide,2-chloro-n-phenyl benzamide,2-chloro-n-phenyl-benzamide,2-chlorophenyl-n-benzamide PubChem CID: 23265 IUPAC Name: 2-chloro-N-phenylbenzamide SMILES: ClC1=CC=CC=C1C(=O)NC1=CC=CC=C1

Pricing & Availability
Specifications

PubChem CID	23265
CAS	6833-13-2
Molecular Weight (g/mol)	231.68
MDL Number	MFCD00016336
SMILES	ClC1=CC=CC=C1C(=O)NC1=CC=CC=C1
Synonym	2-chlorobenzanilide,o-chlorobenzanilide,2-chlorobenzoanilide,benzamide, 2-chloro-n-phenyl,2-chlorobenzoic acid anilide,benzanilide, 2-chloro,n-phenyl-2-chlorobenzamide,2-chloro-n-phenyl benzamide,2-chloro-n-phenyl-benzamide,2-chlorophenyl-n-benzamide
IUPAC Name	2-chloro-N-phenylbenzamide
InChI Key	AXQVIWHAEYLGLO-UHFFFAOYSA-N
Molecular Formula	C13H10ClNO

913

5,5'-Dithiobis-(2-nitrobenzoic acid), 99%

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	6254
CAS	69-78-3
Molecular Weight (g/mol)	396.34
ChEBI	CHEBI:86228
MDL Number	MFCD00007140
SMILES	OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym	dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name	5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key	KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula	C14H8N2O8S2

914

Sulfosalicylic Acid, Dihydrate, Crystal, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

Pricing & Availability
Specifications

PubChem CID	2723734
CAS	5965-83-3
Molecular Weight (g/mol)	250.27
MDL Number	MFCD00007508,MFCD00149540
SMILES	C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Synonym	2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
InChI Key	NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula	C9H14O6S

915

2-Amino-3,5-dibromobenzaldehyde, 97%

CAS: 50910-55-9 Molecular Formula: C7H5Br2NO Molecular Weight (g/mol): 278.931 MDL Number: MFCD00671100 InChI Key: RCPAZWISSAVDEA-UHFFFAOYSA-N Synonym: 2-amino-3,5-dibromo-benzaldehyde,3,5-dibromoanthranilaldehyde,3,5-dibromo-2-aminobenzaldehyde,benzaldehyde, 2-amino-3,5-dibromo,pubchem8245,acmc-209kqx,bromhexine impurity b,ksc272a2l,2-azanyl-3,5-bis bromanyl benzaldehyde,2-amino-3,5-dibromobenzaldehyde PubChem CID: 688305 IUPAC Name: 2-amino-3,5-dibromobenzaldehyde SMILES: C1=C(C=C(C(=C1Br)N)C=O)Br

Pricing & Availability
Specifications

PubChem CID	688305
CAS	50910-55-9
Molecular Weight (g/mol)	278.931
MDL Number	MFCD00671100
SMILES	C1=C(C=C(C(=C1Br)N)C=O)Br
Synonym	2-amino-3,5-dibromo-benzaldehyde,3,5-dibromoanthranilaldehyde,3,5-dibromo-2-aminobenzaldehyde,benzaldehyde, 2-amino-3,5-dibromo,pubchem8245,acmc-209kqx,bromhexine impurity b,ksc272a2l,2-azanyl-3,5-bis bromanyl benzaldehyde,2-amino-3,5-dibromobenzaldehyde
IUPAC Name	2-amino-3,5-dibromobenzaldehyde
InChI Key	RCPAZWISSAVDEA-UHFFFAOYSA-N
Molecular Formula	C7H5Br2NO

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