CAS 885698-70-4 1-Acetyl-4-bromo-1H-indazole (HCID 45480185)

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Basic information

CAS: 885698-70-4
Standard SMILES: CC(=O)n1ncc2c(Br)cccc21
InChIKey: MZBRBDKGAIDUPD-UHFFFAOYSA-N
Molecular formula: C9H7BrN2O
Average molar mass: 239.07 g/mol
Monoisotopic mass: 237.97417494

Names & identifiers

Preferred name: 1-Acetyl-4-bromo-1H-indazole
IUPAC: 1-(4-bromoindazol-1-yl)ethanone
English name: 1-Acetyl-4-bromo-1H-indazole
Molecular formula: C9H7BrN2O
Molecular weight: 239.07

Names & synonyms

1-acetyl-4-bromo-1H-indazoleRefChem:429003801-039-3885698-70-41-(4-bromo-1H-indazol-1-yl)ethanone1-(4-BROMOINDAZOL-1-YL)ETHANONE1-(4-Bromo-1H-indazol-1-yl)ethan-1-oneMFCD121988571H-Indazole, 1-acetyl-4-bromo-SCHEMBL190246DTXSID00670227MZBRBDKGAIDUPD-UHFFFAOYSA-N

Show more names

1-(4-Bromo-1H-indazol-1-yl)1-(4-bromo-indazol-1-yl)-ethanoneAKOS015960328AS-31907SY005435DB-014459Ethanone, 1-(4-broMo-1H-indazol-1-yl)-F321492

Database identifiers

CAS: 885698-70-4
PubChem CID: 45480185
DTXSID: DTXSID00670227
EC Number: 801-039-3

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 34.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 222

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H302-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H302-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P