4-Fluoro-3-(trifluoromethyl)benzoyl Chloride

HCID 144253

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Basic information

CAS: 67515-56-4
Standard SMILES: O=C(Cl)c1ccc(F)c(C(F)(F)F)c1
InChIKey: BUDISZQHCHGLJW-UHFFFAOYSA-N
Molecular formula: C8H3ClF4O
Average molar mass: 226.55 g/mol
Monoisotopic mass: 225.98085528

Names & identifiers

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

Names & synonyms

4-Fluoro-3-(trifluoromethyl)benzoyl chloride67515-56-4DTXSID40217857Benzoyl chloride, 4-fluoro-3-(trifluoromethyl)-RefChem:98972DTXCID90140348623-539-9BUDISZQHCHGLJW-UHFFFAOYSA-N4-fluoro-3-(trifluoromethyl)benzoylchlorideMFCD00061159alpha,alpha,alpha,4-Tetrafluoro-m-toluoyl ChlorideAS00071

Show more names

SKL1238à,à,à,4-tetrafluoro-m-toluoyl chloride5-(Chlorocarbonyl)-2-fluorobenzotrifluoride4-Fluoro-3-(trifluoromethyl)benzoul chloride4-Fluoro-3-(trifluoromethyl)benzoylChloride>4-Fluoro-3-(trifluoromethyl)benzoylchloride97%4-Fluoro-3-(trifluoromethyl)benzoyl chloride 97%

4-fluoro-3-trifluoromethyl-benzoyl chlorideSCHEMBL759728SBB097007AKOS009158608PS-10739SY0184234-fluoro-3-trifluoromethylbenzoyl chloride4-Fluoro-5-trifluoromethylbenzoyl chloride

Database identifiers

CAS: 67515-56-4
PubChem CID: 144253
DTXSID: DTXSID40217857
EC Number: 623-539-9

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 228

Physicochemical properties

Boiling point: 170 °C · 170 °C (lit.)
Density: 1.493 g/mL · 1.493 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.469(lit.)
Flash point: 170 °F · 170 °F
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
color: Colorless to Almost colorless
Sensitive: Moisture Sensitive
BRN: 1968721 · 1968721
InChI: 1S/C8H3ClF4O/c9-7(14)4-1-2-6(10)5(3-4)8(11,12)13/h1-3H
InChIKey: BUDISZQHCHGLJW-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1C(F)(F)F)C(Cl)=O
CAS DataBase Reference: 67515 · 67515-56-4(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: 26 · 26-27-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29163990 · 29163990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 L · 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)

Safety & regulation

GHS classification

GHS Classification · 4 items

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 3 notifications to the ECHA C&L Inventory.

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: 26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
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)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405