CAS 18523-22-3 2-Bromo-1-(3-bromophenyl)ethan-1-one (HCID 519585)

Substructure search Find similar structures

Basic information

CAS: 18523-22-3
Standard SMILES: O=C(CBr)c1cccc(Br)c1
InChIKey: MZBXSQBQPJWECM-UHFFFAOYSA-N
Molecular formula: C8H6Br2O
Average molar mass: 277.94 g/mol
Monoisotopic mass: 275.87854

Names & identifiers

Preferred name: 2-Bromo-1-(3-bromophenyl)ethan-1-one
IUPAC: 2-bromo-1-(3-bromophenyl)ethanone
English name: 3-BROMOPHENACYL BROMIDE
Molecular formula: C8H6Br2O
Molecular weight: 277.94

Names & synonyms

2-bromo-1-(3-bromophenyl)ethan-1-oneRefChem:465913629-245-718523-22-33-Bromophenacyl bromide2,3'-Dibromoacetophenone2-Bromo-1-(3-bromophenyl)ethanoneEthanone, 2-bromo-1-(3-bromophenyl)-2-bromo-3'-bromoacetophenone3-BromophenacylbromideMFCD00082698m-bromophenacyl bromide

Show more names

AKOS BBS-00000935BUTTPARK 41\03-59à,3-dibromoacetophenoneA,3-DIBROMOACETOPHENONE2,3'-dibromoacetopheone

2-bromo-1-(3-bromo-phenyl)-ethanoneSCHEMBL3160262,3'-Dibromoacetophenone, 97%PS-10009SY0147212,3 inverted exclamation mark -Dibromoacetophenone3'-Bromophenacylbromide2-Bromo-1-(3-bromophenyl)ethanone; 2,3'-Dibromoacetophenone;

Database identifiers

CAS: 18523-22-3
PubChem CID: 519585
DTXSID: DTXSID80334077
EC Number: 629-245-7
Nikkaji: J82.760F

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 147

Physicochemical properties

Melting point: 47 · 47-52 °C(lit.)
Boiling point: 154 · 154-159 °C(Press: 10 Torr)
Density: 1.848 · 1.848±0.06 g/cm3(Predicted)
Flash point: 110 ℃ · >110℃
storage temp.: Keep Cold
solubility: DMSO (Slightly)
form: Solid
color: Off-White
Water Solubility: Insoluble in water.
Sensitive: Lachrymatory
BRN: 775786 · 775786
Stability: Moisture Sensitive
InChI: InChI=1S/C8H6Br2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2
InChIKey: MZBXSQBQPJWECM-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CC(Br)=C1)CBr
CAS DataBase Reference: 18523 · 18523-22-3(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29147000
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Lachrymatory/Keep Cold
safety_code: 26-36/37/39
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314