CAS 150313-84-1 4-Bromo-2-tert-butyl-6-nitrophenol (HCID 22929786)

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Basic information

CAS: 150313-84-1
Standard SMILES: CC(C)(C)c1cc(Br)cc([N+](=O)[O-])c1O
InChIKey: IGYZKUXNIXAGHE-UHFFFAOYSA-N
Molecular formula: C10H12BrNO3
Average molar mass: 274.11 g/mol

Names & identifiers

Preferred name: 4-Bromo-2-tert-butyl-6-nitrophenol
IUPAC: 4-bromo-2-tert-butyl-6-nitrophenol

Names & synonyms

4-bromo-2-tert-butyl-6-nitrophenol150313-84-1RefChem:519796863-617-1SCHEMBL1730710IGYZKUXNIXAGHE-UHFFFAOYSA-NAGA313844-Bromo-2-(tert-butyl)-6-nitrophenolEN300-141689G52022

Database identifiers

CAS: 150313-84-1
PubChem CID: 22929786
EC Number: 863-617-1

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 246

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.