CAS 55082-33-2 5-Bromo-2-hydroxybenzophenone (HCID 229009)

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Basic information

CAS: 55082-33-2
Standard SMILES: O=C(c1ccccc1)c1cc(Br)ccc1O
InChIKey: IVIICRNXAGUXLR-UHFFFAOYSA-N
Molecular formula: C13H9BrO2
Average molar mass: 277.11 g/mol
Monoisotopic mass: 275.97859163

Names & identifiers

Preferred name: 5-Bromo-2-hydroxybenzophenone
IUPAC: (5-bromo-2-hydroxyphenyl)-phenylmethanone
English name: 5-BROMO-2-HYDROXYBENZOPHENONE
Molecular formula: C13H9BrO2
Molecular weight: 277.11

Names & synonyms

5-Bromo-2-hydroxybenzophenoneDTXSID70281642RefChem:533256DTXCID30232796624-718-455082-33-2(5-bromo-2-hydroxyphenyl)(phenyl)methanone2-benzoyl-4-bromophenol(5-bromo-2-hydroxyphenyl)-phenylmethanoneMFCD00525062NSC22344(5-bromo-2-hydroxy-phenyl)-phenyl-methanone

Show more names

5-Bromo-2-hydroxybenzophenone >(5-BROMO-2-HYDROXYPHENYL)(PHENYL)METHANONEJRH-05101, (5-Bromo-2-hydroxyphenyl)(phenyl)methanone, 97%

Methanone, (5-bromo-2-hydroxyphenyl)phenyl-ChemDiv2_000064Oprea1_723732SCHEMBL1453185-Bromo-2-hydroxy-benzophenoneSCHEMBL10532476SCHEMBL31172946IVIICRNXAGUXLR-UHFFFAOYSA-N

Database identifiers

CAS: 55082-33-2
PubChem CID: 229009
DTXSID: DTXSID70281642
EC Number: 624-718-4
Nikkaji: J2.215.094D

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 248

Physicochemical properties

Melting point: 111 · 111-114 °C(lit.)
Boiling point: 365.5 · 365.5±27.0 °C(Predicted)
Density: 1.521 · 1.521±0.06 g/cm3(Predicted)
pka: 7.37 · 7.37±0.43(Predicted)
form: powder to crystal
color: Light yellow to Yellow to Orange
CAS DataBase Reference: 55082 · 55082-33-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 2914500090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313