CAS 885521-94-8 4-Bromo-6-methyl-1H-indazole (HCID 24728801)

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Basic information

CAS: 885521-94-8
Standard SMILES: Cc1cc(Br)c2cn[nH]c2c1
InChIKey: WVLOLHQWIPXVBQ-UHFFFAOYSA-N
Molecular formula: C8H7BrN2
Average molar mass: 211.06 g/mol
Monoisotopic mass: 209.97926032

Names & identifiers

Preferred name: 4-Bromo-6-methyl-1H-indazole
IUPAC: 4-bromo-6-methyl-1H-indazole
English name: 4-BROMO-6-METHYL-1H-INDAZOLE
Molecular formula: C8H7BrN2
Molecular weight: 211.06

Names & synonyms

4-Bromo-6-methyl-1H-indazole885521-94-8DTXSID90646496RefChem:290990DTXCID40597247640-570-3MFCD07781508SCHEMBL2007139AKOS016003420PS-4999SB13457SY031144

Show more names

1H-Indazole, 4-bromo-6-methyl-4-Bromo-6-methyl-1H-indazole - [B9804]

CS-00543684-Bromo-6-methyl (1H)indazoleFT-0734561A8617614-Bromo-6-methyl(1H)indazoleSCHEMBL25592249SCHEMBL29793841DB-077987

Database identifiers

CAS: 885521-94-8
PubChem CID: 24728801
DTXSID: DTXSID90646496
EC Number: 640-570-3

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Physicochemical properties

Boiling point: 346.2 · 346.2±22.0 °C(Predicted)
Density: 1.654 · 1.654±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 13.25 · 13.25±0.40(Predicted)
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933998090 · 2933998090

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.