CAS 1836-06-2 1-(3-Bromo-4-hydroxyphenyl)ethanone (HCID 608094)

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Basic information

CAS: 1836-06-2
Standard SMILES: CC(=O)c1ccc(O)c(Br)c1
InChIKey: LEXAYGVHWYOOAB-UHFFFAOYSA-N
Molecular formula: C8H7BrO2
Average molar mass: 215.04 g/mol
Monoisotopic mass: 213.96294156

Names & identifiers

Preferred name: 1-(3-Bromo-4-hydroxyphenyl)ethanone
IUPAC: 1-(3-bromo-4-hydroxyphenyl)ethanone
English name: 3'-Bromo-4'-hydroxyacetophenone
Molecular formula: C8H7BrO2
Molecular weight: 215.04

Names & synonyms

1-(3-Bromo-4-hydroxyphenyl)ethanone1836-06-23'-BROMO-4'-HYDROXYACETOPHENONEDTXSID20345925RefChem:423386DTXCID70296998634-047-9Ethanone, 1-(3-bromo-4-hydroxyphenyl)-MFCD032089741-(3-bromo-4-hydroxyphenyl)ethan-1-oneSCHEMBL9852723/'-BROMO-4/'-HYDROXYACETOPHENONE

Show more names

4-Acetyl-2-bromophenol2-Bromo-4-acetylphenol

BAA83606AKOS012205788AS-18975CS-0042105EN300-261215Z1037557930Acetophenone, 3'-bromo-4'-hydroxy-3-bromo-4-hydroxyphenyl acetone

Database identifiers

CAS: 1836-06-2
PubChem CID: 608094
DTXSID: DTXSID20345925
EC Number: 634-047-9
Nikkaji: J105.293D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 111 to · 111.0 to 115.0 °C
Boiling point: 315.9 · 315.9±27.0 °C(Predicted)
Density: 1.586 · 1.586±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 6.63 · 6.63±0.18(Predicted)
color: White to Light yellow to Light orange
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36
HS Code: 2914790090 · 2914790090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (95%): 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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.