4-Imidazolemethanol

HCID 1745CAS 822-55-9
Substructure searchFind similar structures

Basic information

Standard SMILES
OCc1cnc[nH]1
InChIKey
QDYTUZCWBJRHKK-UHFFFAOYSA-N
Molecular formula
C4H6N2O
Average molar mass
98.1 g/mol
Monoisotopic mass
98.04801281

Overview

Imidazole-4-methanol is a member of the class of imidazoles that is 1H-imidazole substituted by a hydroxymethyl group at position 4. It is a primary alcohol and a member of imidazoles.

Names & identifiers

Preferred name
4-Imidazolemethanol
IUPAC
1H-imidazol-5-ylmethanol
English name
Imidazole-4-methanol
Molecular formula
C4H6N2O
Molecular weight
98.1

Names & synonyms

4-imidazolemethanolRefChem:516193822-55-9IMIDAZOLE-4-METHANOL(1H-Imidazol-4-yl)methanol4-(Hydroxymethyl)imidazole1H-imidazol-5-ylmethanol1H-Imidazole-4-methanol1H-Imidazol-4-ylmethanol1H-Imidazole-5-methanol4(5)-(Hydroxymethyl)imidazole(1H-imidazol-4-yl)-methanol
Show more names
4-hydroxymethylglyoxalineNSC 39016RARECHEM AL BD 0762imidazol-4-ylmethanoimidazol-4-ylmethanolHYDROXYMETHYLIMIDAZOLE
(3H-Imidazol-4-yl)-methanol(1H-imidazol-5-yl)methanol4-HYDROXYMETHYLIMIDAZOLE4-Methylol-1H-imidazole4-IMIDAZOLYLMETHANOLMFCD002667181H-imidazol-4-yl-methanol4-(hydroxymethyl)-1H-imidazole

Database identifiers

CAS
822-55-9
PubChem CID
1745
DTXSID
DTXSID40231619
ChEMBL
CHEMBL1397797
ChEBI
CHEBI:28182
UNII
QD0132T507
EC Number
628-579-0
Nikkaji
J100.709B

Properties

Computed structural properties

XLogP
-0.8
Topological polar surface area
48.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
7

Physicochemical properties

Melting point
88 · 88-92 °C (lit.)
Boiling point
393.7 · 393.7±17.0 °C(Predicted)
Density
1.311 · 1.311±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
form
solid
pka
13.44 · 13.44±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2933299090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses4(5)-(Hydroxymethyl)imidazole can be prepared using 4(5)-(hydroxymethyl)imidazole picrate as the starting material.

General Description4(5)-(Hydroxymethyl)imidazole can be prepared using 4(5)-(hydroxymethyl)imidazole picrate as the starting material.

Upstream & downstream products

Suppliers50 total

荟达医药科技(上海)有限公司15173502222 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Additional notes

DefinitionChEBI: A member of the class of imidazoles that is 1H-imidazole substituted by a hydroxymethyl group at position 4.

Related reactions

2 records
New reaction record

Linked notes

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