CAS 70654-71-6 4-Bromo-2,6-dimethoxyphenol (HCID 14845876)

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Basic information

CAS: 70654-71-6
Standard SMILES: COc1cc(Br)cc(OC)c1O
InChIKey: VKXCKVRDDDEQOG-UHFFFAOYSA-N
Molecular formula: C8H9BrO3
Average molar mass: 233.06 g/mol

Names & identifiers

Preferred name: 4-Bromo-2,6-dimethoxyphenol
IUPAC: 4-bromo-2,6-dimethoxyphenol
English name: 4-bromo-2,6-dimethoxyphenol
Molecular formula: C8H9BrO3
Molecular weight: 233.06

Names & synonyms

4-bromo-2,6-dimethoxyphenol70654-71-6RefChem:519151817-212-1MFCD184830994-bromo-2,6-dimethoxy-phenolSCHEMBL1879373VKXCKVRDDDEQOG-UHFFFAOYSA-NPhenol, 4-bromo-2,6-dimethoxy-VCA65471BS-29368SY145673

Show more names

CS-0169339D84427EN300-115219F693594

Database identifiers

CAS: 70654-71-6
PubChem CID: 14845876
EC Number: 817-212-1
Nikkaji: J801.803K

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 128

Physicochemical properties

Melting point: 106 °C · 106 °C
Boiling point: 278.9 · 278.9±35.0 °C(Predicted)
Density: 1.532 · 1.532±0.06 g/cm3(Predicted)
pka: 9.42 · 9.42±0.23(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

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.