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4-Fluorobenzyl bromide

4-Fluorobenzyl bromide structure

CAS No:
459-46-1
Formula:
C7H6BrF
Chemical Name:
4-Fluorobenzyl bromide
Synonyms:
Benzene,1-(bromomethyl)-4-fluoro-;Toluene,α-bromo-p-fluoro-;1-(Bromomethyl)-4-fluorobenzene;4-Fluorobenzyl bromide;p-Fluorobenzyl bromide;α-Bromo-p-fluorotoluene;α-Bromo-4-fluorotoluene;1-Fluoro-4-(bromomethyl)benzene
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

Description

4-Fluorobenzyl bromide (C7H6BrF, CAS registry No. 459-46-1) is a colorless to light yellow liquid. Its flash point is 74.8 oC. It is stable at room temperature in closed containers under normal storage and handling conditions. 1,3-Difluorobenzene can react with water to form toxic fumes. Therefore, it should be stored in a tightly closed container and should be stored in a cool, dry and well-ventilated area away from incompatible substances.
Colorless to light yellow liqui

4-Fluorobenzyl bromide Basic Attributes

Molecular Weight：

189.025

Exact Mass：

189.02

EC Number：

207-291-5

UNII：

GKL3GW5GWH

DSSTox ID：

DTXSID8060032

HScode：

2903999090

Characteristics

PSA：

XLogP3：

2.97

Appearance：

Colorless to light yellow liqui

Density：

1.5±0.1 g/cm3

Boiling Point：

85 °C @ Press: 16 Torr

Flash Point：

74.8±15.3 °C

Refractive Index：

1.544

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

Vapor Pressure：

0.143mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

R34;R36

safety instructions：

S26-S36/37/39-S45

Marks：

C:Corrosive

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions. Reacts with water to form toxic fumes.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 51 companies from 6 notifications to the ECHA C&L Inventory.

4-Fluorobenzyl bromide Use and Manufacturing

Uses

4-Fluorobenzyl bromide is an important intermediate in organic chemistry. 4-Fluorobenzyl bromide can be used as alkylating reagent to participate in the alkylation reaction with sulfamic esters (R-O-SO2-NH2) in liquid-liquid phase transfer conditions, resulting in the preparation of the N-dialkyled products or the corresponding ethers by scission of the O-SO2 bond, depending on the nature of R.
4-Fluorobenzyl bromide can be used for the synthesis of glycyrrhetinic acid (GA) derivatives, which are slow-binding inhibitors of tyrosinase and have inhibitory effects on melanogenesis.
4-Fluorobenzyl Bromide is a substituted benzyl bromide reagent used in the preparation of wide range of biologically active compounds such as bronchodialators, neurochemicals and antibacterials.

Manufacturing Info：

Benzene, 1-(bromomethyl)-4-fluoro-: INACTIVE

Computed Properties

Molecular Weight:189.02
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:187.96369
Monoisotopic Mass:187.96369
Heavy Atom Count:9
Complexity:77
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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