Basic information
- CAS
63529-30-6- Standard SMILES
O=C(CBr)c1ccc(F)c(Cl)c1- InChIKey
JOCPGHGWUUBURW-UHFFFAOYSA-N- Molecular formula
- C8H5BrClFO
- Average molar mass
- 251.48 g/mol
- Monoisotopic mass
- 249.91963
Names & identifiers
- Preferred name
- 2-Bromo-3'-chloro-4'-fluoroacetophenone
- IUPAC
- 2-bromo-1-(3-chloro-4-fluorophenyl)ethanone
- English name
- 2-Bromo-3'-chloro-4'-fluoroacetophenone, 96%
- Molecular formula
- C8H5BrClFO
- Molecular weight
- 251.48
Names & synonyms
2-Bromo-3'-chloro-4'-fluoroacetophenoneRefChem:466175625-315-663529-30-62-Bromo-1-(3-chloro-4-fluorophenyl)ethanone3-Chloro-4-fluorophenacyl bromideMFCD051549912-bromo-1-(3-chloro-4-fluorophenyl)ethan-1-one2-bromo-1-(3-chloro-4-fluoro-phenyl)ethanoneEthanone, 2-bromo-1-(3-chloro-4-fluorophenyl)-SCHEMBL311275SCHEMBL29391582
Show more names
3-Chloro-4-fluorophenacylbromide98%3-Chloro-4-fluorophenacyl bromide 98%3-Chloro-4-fluorophenacyl Bromide >2-BROMO-3'-CHLORO-4'-FLUOROACETOPHENONE2-Bromo-3'-chloro-4'-fluoroacetophenone 96%2-Bromo-3′-chloro-4′-fluoroacetophenone, CAS 63529-30-62-Bromo-1-(3-chloro-4-fluorophenyl)ethanone, 3μ-Chloro-4μ-fluorophenacyl bromide2-Bromo-3'-chloro-4'-fluoroacetophenone, 2-Bromo-1-(3-chloro-4-fluorophenyl)ethan-1-one
DTXSID00382292JOCPGHGWUUBURW-UHFFFAOYSA-N3-chloro-4-fluoro-phenacyl bromideSBB100990AKOS000262145PS-99712-Bromo-3 inverted exclamation marka-chloro-4 inverted exclamation marka-fluoroacetophenoneSY050855
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 33 · 33-36 °C
- Boiling point
- 303.6 · 303.6±32.0 °C(Predicted)
- Density
- 1.673 · 1.673±0.06 g/cm3(Predicted)
- Flash point
- 110 °C · 110 °C
- storage temp.
- 2 · 2-8°C
- form
- Solid
- color
- White to Light yellow to Light orange
- Symbol(GHS)
- 6 · GHS06,GHS05
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335-H290-H314
- Precautionary statements
- 234 · P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P261-P301+P310-P305+P351+P338-P280a-P301+P310a-P501a
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26
- RIDADR
- 2811 · UN 2811 6.1/PG 3
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
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesAcute Tox. 3 (97.6%)；Skin Irrit. 2 (95.1%)；Eye Irrit. 2 (95.1%)；STOT SE 3 (95.1%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2914790090
- risk_code
- 22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS05
- hazard_code
- Xn
- safety_code
- 26
Chemistry & industry
Applications
Uses2-Bromo-3-chloro-4-fluoroacetophenone can be used as a pharmaceutical synthesis intermediate. It can be prepared by reacting 3-chloro-4-fluoroacetophenone with bromine. It can be used to prepare the compound 4-(3-chloro-4-fluorophenyl)-1,3-thiazolyl-2-carbenylethyl ester.
Suppliers52 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Related reactions
6 records
Compound notes
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