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4-Bromo-3-fluorotoluene

4-Bromo-3-fluorotoluene structure

CAS No:
452-74-4
Formula:
C7H6BrF
Chemical Name:
4-Bromo-3-fluorotoluene
Synonyms:
Benzene,1-bromo-2-fluoro-4-methyl-;Toluene,4-bromo-3-fluoro-;1-Bromo-2-fluoro-4-methylbenzene;3-Fluoro-4-bromotoluene;4-Bromo-3-fluorotoluene;2-Fluoro-4-methyl-1-bromobenzene;193357-29-8
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

colorless to light yellow liqui

4-Bromo-3-fluorotoluene Basic Attributes

Molecular Weight：

189.02

Exact Mass：

189.02

BRN：

2500154

EC Number：

-0

DSSTox ID：

DTXSID60341466

HScode：

2903999090

Characteristics

PSA：

XLogP3：

3.1

Appearance：

Clear light yellow Liquid

Density：

1.5±0.1 g/cm3

Boiling Point：

169 °C @ Press: 756 Torr

Flash Point：

95 °F

Refractive Index：

1.527

Storage Conditions：

Flammables area

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

26-37/39-16

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (89.13%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromo-3-fluorotoluene Use and Manufacturing

4-Bromo-3-fluorotoluene is used in the synthesis of S-trityl-L-cysteine based inhibitors that show potent antitumor activity in lung cancer models. Chemical reagent for organic synthesis.

Computed Properties

Molecular Weight:189.02
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Exact Mass:187.96369
Monoisotopic Mass:187.96369
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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