2-Bromo-1-methyl-4-(trifluoromethyl)benzene
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2-Bromo-1-methyl-4-(trifluoromethyl)benzene
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CAS No:
66417-30-9
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Formula:
C8H6BrF3
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Chemical Name:
2-Bromo-1-methyl-4-(trifluoromethyl)benzene
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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
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CAS No:
2-Bromo-1-methyl-4-(trifluoromethyl)benzene Basic Attributes
239.03
239.03
DTXSID60381423
2903999090
Safety Information
IRRITANT
UN 1993 /PG 3
22
S16;S26;S36
F,Xn
Flammable
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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
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CN
2 YRS
Business licensedTrader Supplier of Pharmaceutical intermediatesInquiryUnit Price: $1 /KG EXWCAS No.: 66417-30-9Grade: Industrial GradeContent: 99% -
CN
6 YRS
Business licensedDistributor Supplier of Nutrition supplement material,Pharmaceutical raw material,Chemical raw materialInquiryUnit Price: $6.86-7.84 /KG FOBCAS No.: 66417-30-9Grade: Pharmaceutical GradeContent: 99%
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2-Bromo-1-methyl-4-(trifluoromethyl)benzene
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