Basic information
- CAS
368-94-5- Standard SMILES
O=C(F)c1ccc(C(F)(F)F)cc1- InChIKey
RULVRLLGHXQORW-UHFFFAOYSA-N- Molecular formula
- C8H4F4O
- Average molar mass
- 192.11 g/mol
- Monoisotopic mass
- 192.0198274
Names & identifiers
- Preferred name
- Benzoyl fluoride, 4-(trifluoromethyl)-
- IUPAC
- 4-(trifluoromethyl)benzoyl fluoride
- English name
- 4-(Trifluoromethyl)benzoyl fluoride
- Molecular formula
- C8H4F4O
- Molecular weight
- 192.11
Names & synonyms
4-(Trifluoromethyl)benzoyl fluoride368-94-5Benzoyl fluoride, 4-(trifluoromethyl)-EINECS 206-715-6DTXSID3059898RefChem:566464DTXCID9039236206-715-6p-Trifluoromethylbenzoyl fluorideBenzoyl fluoride,4-(trifluoromethyl)-MFCD00039230starbld0009842
Show more names
TIMTEC-BB SBB0017884-(Trifluoromethyl)benzoy fluoride4-(trifluoromethyl)-benzoylfluorid4-(triflouromethyl)benzoyl FluorideN-(4-nitrophenyl)-N-phenylnitrous amide4-(Trifluoromethyl)benzoic acid fluoride
WT6K3FYP2MSCHEMBL9069999p-(Trifluoromethyl)benzoyl fluorideBenzoyl fluoride, 4-trifluoromethyl-SBB0017884-(Trifluoromethyl)benzoyl fluoride #AKOS006229580FS-5068
Database identifiers
- CAS
368-94-5- PubChem CID
- 67784
- DTXSID
DTXSID3059898- UNII
- WT6K3FYP2M
- EC Number
- 206-715-6
- Nikkaji
- J213.557D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- InChI
- InChI=1S/C8H4F4O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
- InChIKey
- RULVRLLGHXQORW-UHFFFAOYSA-N
- SMILES
- C(F)(=O)C1=CC=C(C(F)(F)F)C=C1
- CAS DataBase Reference
- 368 · 368-94-5(CAS DataBase Reference)
- FDA UNII
- 6 K3FYP2M · WT6K3FYP2M
- EPA Substance Registry System
- 4 · Benzoyl fluoride, 4-(trifluoromethyl)- (368-94-5)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3265 · 3265
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- HS Code
- 2916399090 · 2916399090
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- ridadr
- 3265
- hs_code
- 2916399090
- risk_code
- 34
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- hazard_class
- 8
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoyl fluoride, 4-(trifluoromethyl)-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers22 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
Related reactions
1 records
Compound notes
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