Basic information
- CAS
655-26-5- Standard SMILES
O=C(c1cccc(Br)c1)C(F)(F)F- InChIKey
JOKNUXPHMQZTQB-UHFFFAOYSA-N- Molecular formula
- C8H4BrF3O
- Average molar mass
- 253.02 g/mol
- Monoisotopic mass
- 251.93976151
Names & identifiers
- Preferred name
- 3'-Bromo-2,2,2-trifluoroacetophenone
- IUPAC
- 1-(3-bromophenyl)-2,2,2-trifluoroethanone
- English name
- 3'-Bromo-2,2,2-trifluoroacetophenone
- Molecular formula
- C8H4BrF3O
- Molecular weight
- 253.02
Names & synonyms
3'-Bromo-2,2,2-trifluoroacetophenoneRefChem:484622625-399-4655-26-51-(3-bromophenyl)-2,2,2-trifluoroethanone1-(3-Bromophenyl)-2,2,2-Trifluoroethan-1-OneMFCD00511232Ethanone, 1-(3-bromophenyl)-2,2,2-trifluoro-3 inverted exclamation marka-Bromo-2,2,2-trifluoroacetophenoneDTXSID90562586AKOS005259569PS-7450
Show more names
2-trifluoroethanone1-(3-broMophenyl)-2m-bromotrifluoroacetone3-Brom-α,α,α-trifluoracetophenon3-Bromo-ααα-trifluoroacetophenone3'-Bromo-2,2,2-trifluoroacetophenone98%3'-Bromo-2,2,2-trifluoroacetophenone 98%
SY0264453'-Bromo-2,2,2-trifluoroacetophenone, 97%3 inverted exclamation mark -Bromo-2,2,2-trifluoroacetophenone1-bromo-3-(trifluoroacetyl)benzeneSCHEMBL1467063AB907413-Bromo-|A,|A,|A-trifluoroacetophenone1-(3-bromo-phenyl)-2,2,2-trifluoro-eth
Database identifiers
- CAS
655-26-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 83.5 °C · 83.5 °C(Press: 12 Torr)
- Density
- 1.637 g/mLat · 1.637g/mLat 25℃
- refractive index
- 20 · n20/D 1.504
- storage temp.
- 2 · 2-8°C
- form
- liquid
- color
- Clear, colourless
- BRN
- 2329910 · 2329910
- InChI
- InChI=1S/C8H4BrF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H
- InChIKey
- JOKNUXPHMQZTQB-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=CC(Br)=C1)C(F)(F)F
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
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 41 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
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2914790090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3'-Bromo-2,2,2-trifluoroacetophenone is a useful research chemical.
Suppliers76 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海凌飞医药科技有限公司15618928656 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Related reactions
6 records
Compound notes
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