Basic information
- CAS
4209-02-3- Standard SMILES
O=C(CCl)c1ccc(Br)cc1- InChIKey
HCQNNQFCUAGJBD-UHFFFAOYSA-N- Molecular formula
- C8H6BrClO
- Average molar mass
- 233.49 g/mol
- Monoisotopic mass
- 231.92906
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-2-chloroethan-1-one
- IUPAC
- 1-(4-bromophenyl)-2-chloroethanone
- English name
- 1-(4-bromophenyl)-2-chloroethan-1-one
- Molecular formula
- C8H6BrClO
- Molecular weight
- 233.49
Names & synonyms
1-(4-bromophenyl)-2-chloroethanone1-(4-Bromophenyl)-2-chloroethan-1-oneethanone, 1-(4-bromophenyl)-2-chloro-DTXSID50194928EINECS 224-134-6NSC 94761RefChem:424965DTXCID90117419224-134-6InChI=1/C8H6BrClO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H4209-02-32-Chloro-4'-bromoacetophenone
Show more names
p-Bromo-2-chloroacetophenone4'-Bromo-α-chloroacetophenone
4'-Bromo-2-chloroacetophenone1-(4-Bromo-phenyl)-2-chloro-ethanoneMFCD00095178NSC-947611-(4-bromophenyl)-2-chloro-Ethanone2-Chloro-4BromoacetophenoneNSC94761p-Bromphenacylchlorid
Database identifiers
- CAS
4209-02-3- PubChem CID
- 77882
- DTXSID
DTXSID50194928- UNII
- 734VJ39EEW
- EC Number
- 224-134-6
- Nikkaji
- J224.999E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 119 · 119-120 °C
- Boiling point
- 306.7 · 306.7±22.0 °C(Predicted)
- Density
- 1.571 · 1.571±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H6BrClO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2
- InChIKey
- HCQNNQFCUAGJBD-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C(Br)C=C1)CCl
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xn
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 40 reports by companies from 3 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses2-Chloro-4''-bromoacetophenone
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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