CAS 216144-68-2 3-Fluoro-4-(trifluoromethyl)benzoyl chloride (HCID 2734709)

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Basic information

CAS: 216144-68-2
Standard SMILES: O=C(Cl)c1ccc(C(F)(F)F)c(F)c1
InChIKey: DPDAEMNQJYDHRQ-UHFFFAOYSA-N
Molecular formula: C8H3ClF4O
Average molar mass: 226.556 g/mol
Monoisotopic mass: 225.98085528

Names & identifiers

Preferred name: 3-Fluoro-4-(trifluoromethyl)benzoyl chloride
IUPAC: 3-Fluoro-4-(trifluoromethyl)benzoyl chloride
English name: 3-Fluoro-4-(trifluoromethyl)benzoyl chloride
Molecular formula: C8H3ClF4O
Molecular weight: 226.56

Names & synonyms

SKL1236à,à,à,4-tetrafluoro-p-toluoyl chloride3-Fluoro-4-(trifluoroMe)benzoyl chloride3-Fluoro-3-(trifluoroMethyl)benzoyl chloride3-Fluoro-4-(trifluoromethyl)benzoyl chloride3-Fluoro-4-(trifluoromethyl)benzoylchloride97%Benzoyl chloride, 3-fluoro-4-(trifluoromethyl)-3-fluoro-4-(trifluoromethyl)benzeneformylchloro3-Fluoro-4-(trifluoromethyl)benzoyl chloride 97%alpha,alpha,alpha,4-Tetrafluoro-p-toluoyl chloride

Database identifiers

CAS: 216144-68-2
PubChem CID: 2734709
DTXSID: DTXSID40370456
EC Number: 623-664-9
Nikkaji: J2.037.122F

Properties

Physicochemical properties

Boiling point: 152 °C · 152 °C (lit.)
Density: 1.486 g/mL · 1.486 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.465(lit.)
Flash point: 179 °F · 179 °F
storage temp.: Inert atmosphere,Room Temperature
form: liquid
color: Faint yellow
Water Solubility: Not miscible or difficult to mix in water.
Sensitive: Moisture Sensitive
InChI: 1S/C8H3ClF4O/c9-7(14)4-1-2-5(6(10)3-4)8(11,12)13/h1-3H
InChIKey: DPDAEMNQJYDHRQ-UHFFFAOYSA-N
SMILES: Fc1cc(ccc1C(F)(F)F)C(Cl)=O
CAS DataBase Reference: 216144 · 216144-68-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 23 · 23-26-36/37/39-45
RIDADR

Safety & regulation

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
packing_group: II
Hazard statements: H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405