5-Chloro-2-(hydroxymethyl)phenol

HCID 327148
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Basic information

CAS
64917-81-3
Standard SMILES
OCc1ccc(Cl)cc1O
InChIKey
NEPPSDXLISKMNU-UHFFFAOYSA-N
Molecular formula
C7H7ClO2
Average molar mass
158.58 g/mol
Monoisotopic mass
158.01345714

Names & identifiers

Preferred name
5-Chloro-2-(hydroxymethyl)phenol
IUPAC
5-chloro-2-(hydroxymethyl)phenol
English name
4-Chloro-2-hydroxybenzeneMethanol
Molecular formula
C7H7ClO2
Molecular weight
158.58

Names & synonyms

5-chloro-2-(hydroxymethyl)phenol64917-81-3DTXSID40316213RefChem:302341DTXCID802673365-Chloro-2-hydroxymethyl-phenol4-Chloro-2-hydroxybenzyl alcohol5-chloro-2-hydroxymethylphenolNSC300883BENZENEMETHANOL,4-CHLORO-2-HYDROXY-SCHEMBL5610062-hydroxymethyl-5-chlorophenol
Show more names
BENZENEMETHANOL, 4-CHLORO-2-HYDROXY-
4-chloro-2-hydroxy-benzylalcohol4-Chloro-2-hydroxybenzeneMethanolNEPPSDXLISKMNU-UHFFFAOYSA-NMFCD11042786AKOS006308611NSC-300883DB-305588CS-0378140

Database identifiers

CAS
64917-81-3
PubChem CID
327148
DTXSID
DTXSID40316213
Nikkaji
J2.581.652H

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
119 · 119-120 °C(Solv: benzene (71-43-2))
Boiling point
258.2 · 258.2±10.0 °C(Predicted)
Density
1.395 · 1.395±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, stored under nitrogen
pka
8.96 · 8.96±0.10(Predicted)
Appearance
White to off-white Solid

Chemistry & industry

Suppliers10 total

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]

Related reactions

46 records
New reaction record

Compound notes

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