CAS 189807-20-3 2,3,6-Trifluorobenzoyl chloride (HCID 594407)

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Basic information

CAS: 189807-20-3
Standard SMILES: O=C(Cl)c1c(F)ccc(F)c1F
InChIKey: DMUGJQMADYEWSQ-UHFFFAOYSA-N
Molecular formula: C7H2ClF3O
Average molar mass: 194.54 g/mol
Monoisotopic mass: 193.9746269

Names & identifiers

Preferred name: 2,3,6-Trifluorobenzoyl chloride
IUPAC: 2,3,6-trifluorobenzoyl chloride
English name: 2,3,6-TRIFLUOROBENZOYL CHLORIDE
Molecular formula: C7H2ClF3O
Molecular weight: 194.54

Names & synonyms

2,3,6-Trifluorobenzoyl chloride189807-20-3DTXSID80344095RefChem:81441DTXCID40295170631-569-9DMUGJQMADYEWSQ-UHFFFAOYSA-NBenzoyl chloride, 2,3,6-trifluoro-2,3,6-trifluorobenzoylchlorideMFCD00061203benzoyl chloride, 2,3,6-trifluoro- (9ci)2,3,6-trifluoro-benzoyl chloride

Show more names

SKL1261

2,3,6-trifluorobenzoylchloride98%2,3,6 - Trifluorobenzoyl chloride2,3,6-trifluorobenzoyl chloride 98%SCHEMBL1022860SBB091797AKOS006223693benzoyl chloride, 2,3,6-trifluoro-;2,3,6-Trifluorobenzoyl chloride, 98%

Database identifiers

CAS: 189807-20-3
PubChem CID: 594407
DTXSID: DTXSID80344095
EC Number: 631-569-9

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 187

Physicochemical properties

Boiling point: 77 · 77-79 °C20 mm Hg(lit.)
Density: 1.48 g/mL · 1.48 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4825(lit.)
Flash point: 163 °F · 163 °F
form: Liquid
Specific Gravity: 1.48 · 1.480
color: Clear slightly yellow
Sensitive: Lachrymatory
CAS DataBase Reference: 189807 · 189807-20-3(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H227-H318
Precautionary statements: 210 e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310 · P210e-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310
Hazard Codes: C
Risk Statements: 34 · 34

Safety & regulation

GHS classification

GHS Classification · 5 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 44 reports by companies from 3 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

wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29163900
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 23-26-27-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H314-H227-H318
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)