Basic information
- CAS
208173-19-7- Standard SMILES
O=C(Cl)c1cccc(C(F)(F)F)c1F- InChIKey
RIKGRFSGIOOYEK-UHFFFAOYSA-N- Molecular formula
- C8H3ClF4O
- Average molar mass
- 226.55 g/mol
- Monoisotopic mass
- 225.9808551
Names & identifiers
- Preferred name
- 2-Fluoro-3-(trifluoromethyl)benzoyl chloride
- IUPAC
- 2-fluoro-3-(trifluoromethyl)benzoyl chloride
- English name
- 2-Fluoro-3-(trifluoromethyl)benzoyl chloride
- Molecular formula
- C8H3ClF4O
- Molecular weight
- 226.56
Names & synonyms
2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-7DTXSID70372140RefChem:87053DTXCID30323173632-655-9RIKGRFSGIOOYEK-UHFFFAOYSA-N2-fluoro-3-trifluoromethylbenzoyl chlorideMFCD00061154Benzoyl chloride, 2-fluoro-3-(trifluoromethyl)-2-fluoro-3-(trifluoromethyl)benzoylchloride2-fluoro-3(trifluoromethyl)benzoyl chloride
Show more names
SKL1258à,à,à,2-tetrafluoro-m-toluoyl chlorideα,α,α,2-Tetrafluoro-m-toluoyl chloride-FLUORO-3-(TRIFLUOROMETHYL)BENZOYL CHLORIDE2-Fluoro-3-(trifluoromethyl)benzoylChloride>Benzoyl chloride, 2-fluoro-3-(trifluoromethyl)-2-Fluoro-3-(trifluoromethyl)benzoyl chloride 97%2-Fluoro-3-(trifluoromethyl)benzoyl chloride, 97+%
2-fluoro-3-trifluoromethyl-benzoyl chloride2-fluoro-3-(trifluoromethyl)-benzoyl chloridealpha,alpha,alpha,2-Tetrafluoro-m-toluoyl ChlorideSCHEMBL283643CK1096SBB067920AKOS0158532822-fluoro-3-trifluoromethylbenzoylchloride
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 193 °C · 193 °C(lit.)
- Density
- 1.517 g/mL · 1.517 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.472(lit.)
- Flash point
- 215 °F · 215 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- liquid
- Specific Gravity
- 1.517 · 1.517
- color
- Clear, almost colourless
- Sensitive
- Moisture Sensitive
- BRN
- 7992377 · 7992377
- InChI
- 1S/C8H3ClF4O/c9-7(14)4-2-1-3-5(6(4)10)8(11,12)13/h1-3H
- InChIKey
- RIKGRFSGIOOYEK-UHFFFAOYSA-N
- SMILES
- Fc1c(cccc1C(F)(F)F)C(Cl)=O
- CAS DataBase Reference
- 208173 · 208173-19-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
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
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 45 reports by companies from 4 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
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29163990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 23-26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
Chemistry & industry
Applications
Uses2-Fluoro-3-trifluoromethylbenzoyl Chloride, is a building block used for the synthesis of more complex pharmaceutical and biologically active compounds. It can be used for the synthesis of highly potent novel ketoamide-based cathepsin S inhibitors.
Upstream & downstream products
Downstream products
Suppliers80 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
9 records
Compound notes
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