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3-Fluorobenzyl alcohol

3-Fluorobenzyl alcohol structure

CAS No:
456-47-3
Formula:
C7H7FO
Chemical Name:
3-Fluorobenzyl alcohol
Synonyms:
Benzenemethanol,3-fluoro-;Benzyl alcohol,m-fluoro-;3-Fluorobenzenemethanol;m-Fluorobenzyl alcohol;3-Fluorobenzyl alcohol;NSC 158273;(3-Fluorophenyl)methanol;185532-89-2
Categories:
Pharmaceutical Intermediates > Antiparkinson Agents

Description

clear colorless liquid

3-fluorobenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a fluoro group at position 3. It is a member of monofluorobenzenes and a member of benzyl alcohols.

3-Fluorobenzyl alcohol Basic Attributes

Molecular Weight：

126.13

Exact Mass：

126.13

BRN：

2242511

EC Number：

207-265-3

NSC Number：

158273

DSSTox ID：

DTXSID30196566

HScode：

29062900

Characteristics

PSA：

20.2

XLogP3：

1.5

Appearance：

Clear colorless Liquid

Density：

1.2±0.1 g/cm3

Melting Point：

115-119 °C

Boiling Point：

201 °C

Flash Point：

195 °F

Refractive Index：

1.521

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.159mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

14-34-36/37

safety instructions：

24/25-45-36/37/39-27-26

Marks：

Xi,C

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

3-Fluorobenzyl alcohol Use and Manufacturing

Methods of Manufacturing

General procedure: 0.05 g 5 wt.percent Pt catalyst was pretreated in a hydrogen flow at 673 K for 2 h before use. The catalyst was then mixed with 20 mL solvent and transferred to a 100 mL autoclave. The hydrogenation reaction began at a designated temperature after 4.0 MPa hydrogen was introduced into the autoclave. The reaction was stopped after an allotted period and the products were analyzed by GC–FID (GC-2014, Shimadzu Co.) equipped with a capillary column (DM-WAX, 30 m × 0.32 mm × 0.25 μm).

Uses

Intermediate for medicine, pesticide, liquid crystal material.

Computed Properties

Molecular Weight:126.13
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:126.048093005
Monoisotopic Mass:126.048093005
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:85
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-fluorobenzyl alcohol CAS 456-47-3

CAS No.: 456-47-3

Grade: Pharmaceutical Grade

Content: 99%

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