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7-bromo-1-methyl-1,3-dihydro-2H-benzimidazol-2-one

HCID 59635470
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Basic information

CAS
913297-44-6
Standard SMILES
Cn1c(=O)[nH]c2cccc(Br)c21
InChIKey
RTGYXYYWJABYDE-UHFFFAOYSA-N
Molecular formula
C8H7BrN2O
Average molar mass
227.06 g/mol

Names & identifiers

Preferred name
7-bromo-1-methyl-1,3-dihydro-2H-benzimidazol-2-one
English name
7-bromo-1-methyl-1,3-dihydro-2H-benzimidazol-2-one
Molecular formula
C8H7BrN2O
Molecular weight
227.06

Names & synonyms

7-Bromo-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one7-bromo-1-methyl-1H-benzo[d]imidazol-2(3H)-oneXanthine Impurity 467-Bromo-1-methylbenzimidazol-2(3H)-one4-bromo-3-methyl-1H-benzimidazol-2-one7-bromo-1-methyl-1,3-dihydro-2H-benzimidazol-2-one2H-Benzimidazol-2-one, 7-bromo-1,3-dihydro-1-methyl-7-bromo-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one7-bromo-1-methyl-3H-1,3-benzodiazol-2-one - [AC80522]7-bromo-1-methyl-2,3-dihydro-1H-benzo[d]imidazol-2-one

Database identifiers

CAS
913297-44-6
PubChem CID
59635470
EC Number
958-672-4

Properties

Physicochemical properties

Density
1.641 · 1.641±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
11.34 · 11.34±0.30(Predicted)
InChI
InChI=1S/C8H7BrN2O/c1-11-7-5(9)3-2-4-6(7)10-8(11)12/h2-4H,1H3,(H,10,12)
InChIKey
RTGYXYYWJABYDE-UHFFFAOYSA-N
SMILES
C1(=O)N(C)C2=C(Br)C=CC=C2N1
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2H-Benzimidazol-2-one, 7-amino-1,3-dihydro-1-methyl-2-bromo-N-methyl-6-nitrobenzenamine7-Bromo-1H-indole-2,3-dione7-Bromo-1-Methylindoline-2,3-Dione6-BroMo-N1-Methylbenzene-1,2-diaMineN-methyl-2,6-dinitroaniline3-Bromo-2-fluoronitrobenzene2-Chloro-1,3-dinitrobenzene1,1'-Carbonyldiimidazole

Related reactions

6 records
New reaction record
HRID 1229502 reaction equation
HRID 1229502As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1241131 reaction equation
HRID 1241131As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1698541 reaction equation
HRID 1698541As reactantuspto-grants-2012_04
HRID 1698542 reaction equation
HRID 1698542As reactantuspto-grants-2012_04
HRID 1698543 reaction equation
HRID 1698543As reactantuspto-grants-2012_04
HRID 2330438 reaction equation
HRID 2330438As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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