3-Fluorobenzylic alcohol

HCID 68008CAS 456-47-3
Substructure searchFind similar structures

Basic information

Standard SMILES
OCc1cccc(F)c1
InChIKey
QDHRSLFSDGCJFX-UHFFFAOYSA-N
Molecular formula
C7H7FO
Average molar mass
126.13 g/mol
Monoisotopic mass
126.04809306

Overview

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 benzyl alcohols and a member of monofluorobenzenes.

Names & identifiers

Preferred name
3-Fluorobenzylic alcohol
IUPAC
(3-fluorophenyl)methanol
English name
3-Fluorobenzyl alcohol
Molecular formula
C7H7FO
Molecular weight
126.13

Names & synonyms

3-Fluorobenzyl alcohol456-47-3(3-Fluorophenyl)methanolm-Fluorobenzyl alcoholBenzenemethanol, 3-fluoro-3-Fluorobenzylic alcoholBenzyl alcohol, m-fluoro-RH5YXR9U9BNSC-158273EINECS 207-265-3NSC 158273CHEBI:156103
Show more names
RARECHEM AL BD 00543-Fluorobenzyl alcohFLUOROBENZYL ALCOHOL3-FluorobenzenemethanolMETA-FLUOROBENZYLALCOHOL3-FluorobenzylAlcohol>3-Fluorobenzylalcohol,98%
DTXSID30196566RefChem:501949DTXCID70119057207-265-3InChI=1/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H3-FluorobenzylalcoholMFCD00004631UNII-RH5YXR9U9B

Database identifiers

CAS
456-47-3
PubChem CID
68008
DTXSID
DTXSID30196566
ChEBI
CHEBI:156103
UNII
RH5YXR9U9B
EC Number
207-265-3
Nikkaji
J60D

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Melting point
115 · 115-119 °C
Boiling point
104 · 104-105 °C/22 mmHg (lit.)
Density
1.164 g/mL · 1.164 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.513(lit.)
Flash point
195 °F · 195 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzenemethanol, 3-fluoro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (20%)

Safety data

wgk
3
hs_code
29062900
risk_code
14-34-36/37
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,C

Chemistry & industry

Applications

Uses3-Fluorobenzyl alcohol was used as substrate to study pH dependence of aryl-alcohol oxidase activity.

General Description3-Fluorobenzyl alcohol undergoes acetylation reaction with acetic anhydride catalyzed by tribromo melamine to yield 3-fluorobenzyl acetate.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Additional notes

DefinitionChEBI: 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.

Related reactions

88 records
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Linked notes

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