CAS 1072945-87-9 1-Methyl-1H-benzoimidazole-6-boronic acid (HCID 46738679)

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Basic information

CAS: 1072945-87-9
Standard SMILES: Cn1cnc2ccc(B(O)O)cc21
InChIKey: AOOJQSARVKLHLF-UHFFFAOYSA-N
Molecular formula: C8H9BN2O2
Average molar mass: 175.98 g/mol
Monoisotopic mass: 176.07570793

Names & identifiers

Preferred name: 1-Methyl-1H-benzoimidazole-6-boronic acid
IUPAC: (3-methylbenzimidazol-5-yl)boronic acid
English name: 1-Methyl-1H-benzoiMidazole-6-boronic acid
Molecular formula: C8H9BN2O2
Molecular weight: 175.98026

Names & synonyms

1-METHYL-1H-BENZOIMIDAZOLE-6-BORONIC ACIDRefChem:433814801-180-01072945-87-9(1-Methyl-1H-benzo[d]imidazol-6-yl)boronic acid(3-methylbenzimidazol-5-yl)boronic acidMFCD09972099(1-methyl-1H-1,3-benzodiazol-6-yl)boronic acid1-methyl-1H-benzo[d]imidazol-6-ylboronic acidSCHEMBL2251360DTXSID90674335AOOJQSARVKLHLF-UHFFFAOYSA-N

Show more names

AKOS006310388BS-255391-Methyl-1H-benzimidazole-6-boronic acidDB-059603CS-0128645(1-Methyl-1H-benzimidazol-6-yl)boronic acidEN300-152144G81973

Database identifiers

CAS: 1072945-87-9
PubChem CID: 46738679
DTXSID: DTXSID90674335
EC Number: 801-180-0

Properties

Computed structural properties

Topological polar surface area: 58.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 191

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.