2-Bromo-1-(3,4-dichlorophenyl)ethanone (HCID 244751)

Names & identifiers

Preferred name: 2-Bromo-1-(3,4-dichlorophenyl)ethanone
IUPAC: 2-bromo-1-(3,4-dichlorophenyl)ethanone
English name: 3,4-Dichlorophenacyl bromide
Molecular formula: C8H5BrCl2O
Molecular weight: 267.93

Names & synonyms

2-Bromo-1-(3,4-dichlorophenyl)ethanoneRefChem:465898627-992-32632-10-22-Bromo-3',4'-dichloroacetophenone3,4-Dichlorophenacyl bromide2-bromo-1-(3,4-dichlorophenyl)ethan-1-oneEthanone, 2-bromo-1-(3,4-dichlorophenyl)-MFCD000515813.4-dichlorophenacylbromide3,4 dichlorophenacyl bromideDTXSID30288450

Show more names

AKOS BBS-000039842-Bromo-3',4'-dichL3,4-DICHLOROPHECYL BROMIDEα-Bromo-3,4-dichloroacetophenoneALPHA-BROMO-3,4-DICHLOROACETOPHENONE

STK2084911-(3,4-dichlorophenyl)-2-bromoethan-1-one2-Bromo-3 inverted exclamation marka,4 inverted exclamation marka-dichloroacetophenoneAM880NSC55872NCIOpen2_002120SCHEMBL7471742-Bromo-3 inverted exclamatio

Database identifiers

CAS: 2632-10-2
PubChem CID: 244751
DTXSID: DTXSID30288450
EC Number: 627-992-3
Nikkaji: J265.487C

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 54 °C · 54 °C
Boiling point: 339 ℃ · 339℃
Density: 1.695 · 1.695
Flash point: 159 ℃ · 159℃
storage temp.: 2 · 2-8°C
form: powder to crystal
color: White to Light yellow
BRN: 511981 · 511981
InChI: InChI=1S/C8H5BrCl2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2
InChIKey: PAKFHEFMTRCFAU-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Cl)C(Cl)=C1)CBr
CAS DataBase Reference: 2632 · 2632-10-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H319
Precautionary statements: 264 · P264-P270-P280-P301+P310-P305+P351+P338-P337+P313
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: Xi,T
Risk Statements: 20 · 20/21/22-34-36/37-36/37/38-36-25
Safety Statements: 26 · 26-27-36/37/39-36-45
RIDADR: 1759 · 1759
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29147000 · 29147000
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (85.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 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 CategoriesAcute Tox. 3 (85.4%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
ridadr: 1759
hs_code: 29147000
risk_code: 20/21/22-34-36/37-36/37/38-36-25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi,T
safety_code: 26-27-36/37/39-36-45
hazard_class: 8
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301-H319
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
Precautionary statements: P264-P270-P280-P301+P310-P305+P351+P338-P337+P313

Chemistry & industry

Applications · 1 item

Uses2-Bromo-3',4'-dichloroacetophenone is a chemical ragent used in the synthesis of 2-aroylbenzoxazoles. As well, it is used in the synthesis of aminoarylthiazole derivatives as correctors of chloride transport defect in cystic fibrosis patients.