(-)-1-(4-Fluorophenyl)ethanol

HCID 852997
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Basic information

CAS
101219-73-2
Standard SMILES
C[C@H](O)c1ccc(F)cc1
InChIKey
PSDSORRYQPTKSV-ISZMHOAENA-N
Molecular formula
C8H9FO
Average molar mass
140.15 g/mol

Overview

See also: (S)-1-(4-Fluorophenyl)ethan-1-ol (annotation moved to).

Names & identifiers

Preferred name
(-)-1-(4-Fluorophenyl)ethanol
IUPAC
(1S)-1-(4-fluorophenyl)ethanol
English name
(S)-1-(4-Fluorophenyl)ethanol
Molecular formula
C8H9FO
Molecular weight
140.15

Names & synonyms

(-)-1-(4-Fluorophenyl)ethanolRefChem:390907(S)-1-(4-Fluorophenyl)ethanol101219-73-2(1S)-1-(4-fluorophenyl)ethanolMFCD03092998(1S)-1-(4-Fluorophenyl)ethan-1-olBenzenemethanol, 4-fluoro-alpha-methyl-, (alphaS)-(S)-1-(4-fluorophenyl)-ethanol(S)-(-)-4-fluoro-alpha-methylbenzyl alcohol(S)-1-(4-Ffluorophenyl)ethanol(S)-1-(4-fluorophenyl)ethan-1-ol
Show more names
(S)-1-(4-Fluorophenyl)ethanol 98%
(S)-(-)-1-(4-Fluorophenyl)ethanolS-PF-PELSCHEMBL502826SCHEMBL28433227PSDSORRYQPTKSV-LURJTMIESA-NSC1236(S)-1-(4-Fluorophenyl)ethanol98%AKOS016842805

Database identifiers

CAS
101219-73-2
PubChem CID
852997
EC Number
624-798-0
Nikkaji
J620.332I

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
10

Physicochemical properties

alpha
-49 · -49 º (C=1 IN CHLOROFORM)
Boiling point
216.2 · 216.2±0.0 °C(Predicted)
Density
1.111 g/mL · 1.111 g/mL at 25 °C
refractive index
20 · n20/D 1.502
storage temp.
Sealed in dry,Room Temperature
form
liquid

Safety & regulation

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
2906290090
risk_code
36/37/38-20/21/22-22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses(S)-4-Fluoro-α-methylbenzyl alcohol can be used as a starting material to synthesize a CCR5 antagonist named MLN1251.Along with its ortho- and non-fluorine substituted analogs, it can be used to study the role of fluorine substitution in chiral discrimination in molecular complexes.

Suppliers95 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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