3-(Trifluoromethyl)benzoyl fluoride
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Basic information
- CAS
328-99-4- Standard SMILES
O=C(F)c1cccc(C(F)(F)F)c1- InChIKey
LTHOSILCKUBBIS-UHFFFAOYSA-N- Molecular formula
- C8H4F4O
- Average molar mass
- 192.11 g/mol
- Monoisotopic mass
- 192.0198274
Names & identifiers
- Preferred name
- 3-(Trifluoromethyl)benzoyl fluoride
- IUPAC
- 3-(trifluoromethyl)benzoyl fluoride
- English name
- 3-(Trifluoromethyl)benzoyl fluoride
- Molecular formula
- C8H4F4O
- Molecular weight
- 192.11
Names & synonyms
3-(Trifluoromethyl)benzoyl fluoridem-Trifluoromethylbenzoyl fluorideBenzoyl fluoride, 3-(trifluoromethyl)-m-(Trifluoromethyl)benzoyl fluorideUNII-ZFQ5U94P9EZFQ5U94P9ENSC-93822EINECS 206-340-8NSC 93822DTXSID1059816EC 206-340-8m-Toluoyl fluoride, alpha,alpha,alpha-trifluoro-
Show more names
3-(trifluoromethyl)-benzoylfluorid3-(triflouromethyl)benzoyl Fluoride(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]acetic acid
m-Toluoyl fluoride, .alpha.,.alpha.,.alpha.-trifluoro-RefChem:92751DTXCID2038578m-Toluoyl fluoride, alpha,alpha,alpha-trifluoro-(8CI)206-340-8328-99-4MFCD000180473-Trifluoromethyl-benzoyl fluoride
Database identifiers
- CAS
328-99-4- PubChem CID
- 67606
- DTXSID
DTXSID1059816- UNII
- ZFQ5U94P9E
- EC Number
- 206-340-8
- Nikkaji
- J193.754E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- 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
- 199
Physicochemical properties
- Boiling point
- 159 · 159-163 °C
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- refractive index
- 1.4341 · 1.4341
- LogP
- 2.526 · 2.526
- CAS DataBase Reference
- 328 · 328-99-4(CAS DataBase Reference)
- FDA UNII
- 5 U94P9E · ZFQ5U94P9E
- EPA Substance Registry System
- 3 · Benzoyl fluoride, 3-(trifluoromethyl)- (328-99-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3265 · 3265
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 38 reports by companies from 1 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
Regulatory InformationStatus: Cease Manufacture Update: 24-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6109
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Regulatory information
Regulatory InformationStatus: Cease Manufacture Update: 24-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6109
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoyl fluoride, 3-(trifluoromethyl)-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
4 records
Compound notes
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