CAS 79538-29-7 2,4,6-Trifluorobenzoyl chloride (HCID 144895)

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Basic information

CAS: 79538-29-7
Standard SMILES: O=C(Cl)c1c(F)cc(F)cc1F
InChIKey: SIFIJQFBERMWMU-UHFFFAOYSA-N
Molecular formula: C7H2ClF3O
Average molar mass: 194.54 g/mol
Monoisotopic mass: 193.97462702

Names & identifiers

Preferred name: 2,4,6-Trifluorobenzoyl chloride
IUPAC: 2,4,6-trifluorobenzoyl chloride
English name: 2,4,6-TRIFLUOROBENZOYL CHLORIDE
Molecular formula: C7H2ClF3O
Molecular weight: 194.54

Names & synonyms

2,4,6-Trifluorobenzoyl chloride79538-29-7DTXSID10229760RefChem:82120DTXCID60152251642-590-8SIFIJQFBERMWMU-UHFFFAOYSA-N2,4,6-trifluorobenzoylchlorideMFCD00070810SCHEMBL289690CK1092AKOS005064034

Show more names

Farnesol Impurity 9TIMTEC-BB SBB0058272,4,6-TrifluorobenzoylCholride8. 2,4,6-TrifluorobenzoylChloro-2,4,6-Trifluorobenzoylchloride98%2,4,6-Trifluorobenzoyl chloride 98%Benzoyl chloride, 2,4,6-trifluoro- (9CI)2,4,6-Trifluorobenzoyl chloride, 98% 1GR

2,4,6-TrifluorobenZoyl chloride, 95%PS-10694SY0617442,4,6-Trifluorobenzoyl chloride, AldrichCPR2,4,6-trifluoro-benzoyl chlorideAMY38536BCP17049Benzoyl chloride, 2,4,6-trifluoro-

Database identifiers

CAS: 79538-29-7
PubChem CID: 144895
DTXSID: DTXSID10229760
UNII: UX2G5KT4E9
EC Number: 642-590-8

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: 175

Physicochemical properties

Boiling point: 167 · 167-168°C
Density: 1.484 · 1.484
refractive index: 1.4825 · 1.4825-1.4845
Flash point: 167 · 167-168°C
storage temp.: RT, stored under nitrogen
form: liquid
Specific Gravity: 1.514 · 1.514
color: Clear, colourless
Sensitive: Lachrymatory
BRN: 1958563 · 1958563
CAS DataBase Reference: 79538 · 79538-29-7(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 12-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31536

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr: 3265
hs_code: 29163900
risk_code: 34-25
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,T
hazard_note: Corrosive/Lachrymatory
safety_code: 45-36/37/39-26
hazard_class: 8
packing_group: II
Hazard statements: H314-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)