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2-Chlorobenzotrifluoride

2-Chlorobenzotrifluoride structure

CAS No:
88-16-4
Formula:
C7H4ClF3
Chemical Name:
2-Chlorobenzotrifluoride
Synonyms:
Benzene,1-chloro-2-(trifluoromethyl)-;Toluene,o-chloro-α,α,α-trifluoro-;1-Chloro-2-(trifluoromethyl)benzene;o-Chloro-α,α,α-trifluorotoluene;o-Chlorobenzotrifluoride;2-Chlorobenzotrifluoride;o-Trifluoromethylphenyl chloride;2-Chloro(trifluoromethyl)benzene;o-(Trifluoromethyl)chlorobenzene;2-Chloro-α,α,α-trifluorotoluene;2-(Trifluoromethyl)chlorobenzene;NSC 10307;2-Trifluoromethylphenyl chloride;2-Chloro-1-trifluoromethylbenzene
Categories:
Agrochemicals > Pesticide Intermediates

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Description

Clear colourless to light yellow liquid

2-Chlorobenzotrifluoride Basic Attributes

Molecular Weight：

180.55

Exact Mass：

180.55

BRN：

510993

EC Number：

201-805-1

UNII：

0V2SO8M97N

NSC Number：

10307

UN Number：

2234

DSSTox ID：

DTXSID9024774

HScode：

29036990

Characteristics

PSA：

XLogP3：

3.53

Appearance：

clear colourless to light yellow liquid

Density：

1.379

Melting Point：

-6 °C

Boiling Point：

152.2 °C

Flash Point：

138 °F

Refractive Index：

1.455-1.457

Water Solubility：

H2O: <0.1 g/100 mL at 19.5 ºC

Storage Conditions：

Flammables area

Vapor Pressure：

5.08 mmHg

Toxicity：

Oral-rat LD50: 1600 mg/kg

Flammability characteristics：

Open flame is flammable; heated to decompose toxic halide gas

Explosive limit：

1.7%(V)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2234 3/PG 3

wgk germany：

hazard class code：

10-36/37/38-22

safety instructions：

26-36-36/37/39-16

RTECS Number：

XS9141000

Marks：

Xi,F,Xn,N

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from oxidants and food materials

Hazard note：

Flammable/Irritant

Stability/Shelf Life：

Stable. Flammable. Incompatible with strong oxidizing agents, strong bases.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

Fire Hazards：

Flammable - 2nd degree, Reactive - 1st degree

GHS Classification：

|Warning|H226 (90.15%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 264 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

2-Chlorobenzotrifluoride Use and Manufacturing

Methods of Manufacturing

The preparation method is to add o-chlorotoluene to the reaction kettle, then add a small amount of phosphorus trichloride, and pass in chlorine gas under boiling and light. The temperature finally rises to 210～220℃, the reaction is 16 hours, the chlorine gas is finished, and the pressure is reduced. Distillation to obtain o-chlorotrichlorotoluene, and then adding o-chlorotrichlorotoluene to a stainless steel reaction kettle, passing hydrogen fluoride, maintaining the reaction pressure of 1.764×106Pa, removing excess hydrogen fluoride, and distilling to obtain the product.

Uses

Used as an intermediate for the synthesis of fluorine-containing medicines, pesticides, dyes, etc.

Manufacturing Info：

Benzene, 1-chloro-2-(trifluoromethyl)-: ACTIVE

Use Classification：

Fire Hazards -> Flammable - 2nd degree, Reactive - 1st degree

Computed Properties

Molecular Weight:180.55
XLogP3:3.5
Hydrogen Bond Acceptor Count:3
Exact Mass:179.9953623
Monoisotopic Mass:179.9953623
Heavy Atom Count:11
Complexity:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Hydrofluoric acid

Downstream Products

Salicylic acid

Price Analysis

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