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2-Bromo-1-methyl-4-(trifluoromethyl)benzene

2-Bromo-1-methyl-4-(trifluoromethyl)benzene structure

CAS No:
66417-30-9
Formula:
C8H6BrF3
Chemical Name:
2-Bromo-1-methyl-4-(trifluoromethyl)benzene
Synonyms:
Benzene,2-bromo-1-methyl-4-(trifluoromethyl)-;2-Bromo-1-methyl-4-(trifluoromethyl)benzene;3-Bromo-4-methylbenzotrifluoride;2-Bromo-1-methyl-4-trifluoromethylbenzene;1-Bromo-2-methyl-5-trifluoromethylbenzene
Categories:
Organic Chemistry > Organic Fluorine Compound

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2-Bromo-1-methyl-4-(trifluoromethyl)benzene Basic Attributes

Molecular Weight：

239.03

Exact Mass：

239.03

DSSTox ID：

DTXSID60381423

HScode：

2903999090

Characteristics

PSA：

XLogP3：

3.9

Density：

1.5±0.1 g/cm3

Boiling Point：

199.4°C at 760 mmHg

Flash Point：

70.6±21.8 °C

Refractive Index：

1.475

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 1993 /PG 3

hazard class code：

safety instructions：

S16;S26;S36

Marks：

F,Xn

Hazard note：

Flammable

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-1-methyl-4-(trifluoromethyl)benzene Use and Manufacturing

4- (Trifluoromethyl) toluene (22b, 9.0g, 56 mmol) was placed in round-bottom flask. Then 20 ml TFA and 5.6 ml HThe distillate was extracted with ether (3*100 ml) and the contained combined extracts were dried over sodium sulphate filtered and evaporated to give an oil which was distilled to give 2-bromo-4-trifluoromethyltoluene (9.5 g) b.p. 98-101 C./45 mm Hg.The diacid was decarboxylated by heating in an oil bath to about 180 C. for about 1.5 hours. The decarboxylation mixture containing beta-(2-bromo-4-trifluoromethylphenyl) propionic acid was cooled and the acid dissolved in ether. The ether solution was dried. Evaporation of the ether yielded 16.9 g. of a yellow solid which yielded 8.1 g. of crystalline material from hexane. beta-(2-Bromo-4-trifluoromethylphenyl) propionic acid thus purified melted at 80-82 C.; pKa = 7.11. Analysis Calc.: C, 49.43; H, 2.71; Br, 26.90; Found: C, 40.63; H, 2.66; Br, 27.14.

Computed Properties

Molecular Weight:239.03
XLogP3:3.9
Hydrogen Bond Acceptor Count:3
Exact Mass:237.96050
Monoisotopic Mass:237.96050
Heavy Atom Count:12
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Bromo-1-methyl-4-(trifluoromethyl)benzene

Hangzhou Royalchem Co.,LTD Contact Supplier

CN
2 YRS

Business licensed

Trader Supplier of Pharmaceutical intermediates

3-Bromo-4-methylbenzotrifluoride RC02817

Unit Price: $1 /KG EXW

CAS No.: 66417-30-9

Grade: Industrial Grade

Content: 99%

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Wuhan Oner Biotech Co.,Ltd. Contact Supplier

CN
6 YRS

Business licensed

Distributor Supplier of Nutrition supplement material,Pharmaceutical raw material,Chemical raw material

Fluorinated Pharmaceutical Intermediates 3-Bromo-4-methylbenzotrifluoride from Oner Biotech

Unit Price: $6.86-7.84 /KG FOB

CAS No.: 66417-30-9

Grade: Pharmaceutical Grade

Content: 99%

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Latest News on 2-Bromo-1-methyl-4-(trifluoromethyl)benzene

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Guide of 2-Bromo-1-methyl-4-(trifluoromethyl)benzene

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

2-Bromo-1-methyl-4-(trifluoromethyl)benzene

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