3,5-Bis(trifluoromethyl)benzoyl chloride (HCID 101856)

Names & identifiers

Preferred name: 3,5-Bis(trifluoromethyl)benzoyl chloride
IUPAC: 3,5-bis(trifluoromethyl)benzoyl chloride
English name: 3,5-Bis(trifluoromethyl)benzoyl chloride
Molecular formula: C9H3ClF6O
Molecular weight: 276.56

Names & synonyms

3,5-Bis(trifluoromethyl)benzoyl chloride785-56-8Benzoyl chloride, 3,5-bis(trifluoromethyl)-3,5-di(Trifluoromethyl)benzoyl chlorideEINECS 212-322-0WAKMMQSMEDJRRI-UHFFFAOYSA-DTXSID30229126RefChem:91386DTXCID50151617212-322-0InChI=1/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3HWAKMMQSMEDJRRI-UHFFFAOYSA-N

Show more names

MBT-BOCSKL1270TIMTEC-BB SBB006571Benzoyl Chloride, 33,5-BIS(TRIFLUOROMETHYL)BENZOYCHLORIDE3,5-Bis(trifluoromethyl)benzoylchloride98%3,5-Bis(trifluoromethyl)benzoyl chloride,97%

3,5-bis(trifluoromethyl)benzoylchlorideMFCD000003873,5-bis-trifluoromethylbenzoyl chlorideSCHEMBL322157STR04378SBB0065713,5-bis-trifluoromethylbenzoylchloride3,5-bistrifluoromethyl benzoylchloride

Database identifiers

CAS: 785-56-8
PubChem CID: 101856
DTXSID: DTXSID30229126
EC Number: 212-322-0
Nikkaji: J193.176H

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 275

Physicochemical properties

Melting point: 5 · 5-10C
Boiling point: 65 · 65-67 °C (12 mmHg)
Density: 1.526 g/mL · 1.526 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.435(lit.)
Flash point: 162 °F · 162 °F
storage temp.: Store at room temperature, keep dry and cool
form: Liquid
Specific Gravity: 1.526 · 1.526 (20/4℃)
color: Clear colorless to very slightly yellow
Sensitive: Moisture Sensitive
BRN: 2593440 · 2593440
InChI: 1S/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H
InChIKey: WAKMMQSMEDJRRI-UHFFFAOYSA-N
SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(Cl)=O
CAS DataBase Reference: 785 · 785-56-8(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 · 34-37-36
Safety Statements: 26 · 26-36/37/39-45-27
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-19-21
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 47 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

F: 10-19-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29163990
risk_code: 34-37-36
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-27
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

Chemistry & industry

Applications

Uses3,5-Bis(trifluoromethyl)benzoyl chloride was used in the quantitative and selective assay for the measurement of low levels of clonidine in human plasma.