2-Chloro-3-(trifluoromethyl)benzoyl chloride

HCID 3827633CAS 850156-39-7

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(Cl)c1cccc(C(F)(F)F)c1Cl
InChIKey: PKEMXTIVOBWBNO-UHFFFAOYSA-N
Molecular formula: C8H3Cl2F3O
Average molar mass: 243.01 g/mol
Monoisotopic mass: 241.95130474

Names & identifiers

Preferred name: 2-Chloro-3-(trifluoromethyl)benzoyl chloride
IUPAC: 2-chloro-3-(trifluoromethyl)benzoyl chloride
English name: 2-CHLORO-3-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
Molecular formula: C8H3Cl2F3O
Molecular weight: 243.01

Names & synonyms

2-Chloro-3-(trifluoromethyl)benzoyl chloride850156-39-7DTXSID20396972RefChem:258515DTXCID50347831670-757-52-Chloro-3-(trifluoromethyl)benzoylchlorideMFCD041158302-Chloro-3-(chlorocarbonyl)benzotrifluorideBenzoyl chloride,2-chloro-3-(trifluoromethyl)-2-chloro-3-trifluoromethylbenzoyl chlorideBenzoyl chloride, 2-chloro-3-(trifluoromethyl)-

Show more names

2-chloro-3-(trifluoromethyl)benzoylchloride98%2-chloro-3-(trifluoromethyl)benzoyl chloride 98%SCHEMBL108509SKL1211SBB069734AKOS015917423PS-10732DB-056837

Database identifiers

CAS: 850156-39-7
PubChem CID: 3827633
DTXSID: DTXSID20396972
EC Number: 670-757-5

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 229

Physicochemical properties

Boiling point: 224 · 224
Density: 1.506 · 1.506±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 101.4 · 101.4±27.3℃
storage temp.: Keep Cold
form: low-melting solid
color: White
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P271-P280
Hazard Codes: C
RIDADR: 3265 · UN3265
Hazard Note: Corrosive
HazardClass: 8 · 8
HS Code: 2916399090 · 2916399090
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

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 6 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

ridadr: UN3265
hs_code: 2916399090
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
hazard_class: 8
Hazard statements: H314
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260-P271-P280

Chemistry & industry

Upstream & downstream products

Downstream products

2-CHLORO-3-(TRIFLUOROMETHYL)BENZONITRILE 2-CHLORO-3-(TRIFLUOROMETHYL)BENZAMIDE

Suppliers35 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]

常州安轩化工有限公司13912302692 · [email protected]

Related reactions

39 records

New reaction record

HRID 102248As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 143301As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 180858As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 193488As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 211775As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 296289As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 513218As productuspto-grants-2015_08

HRID 696294As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

Loading…