1-Methyl-2-nitro-1H-imidazole-5-methanol

HCID 70292
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Basic information

CAS
39070-14-9
Standard SMILES
Cn1c(CO)cnc1[N+](=O)[O-]
InChIKey
WXSSUDRHAJTESR-UHFFFAOYSA-N
Molecular formula
C5H7N3O3
Average molar mass
157.13 g/mol
Monoisotopic mass
157.04874109

Names & identifiers

Preferred name
1-Methyl-2-nitro-1H-imidazole-5-methanol
IUPAC
(3-methyl-2-nitroimidazol-4-yl)methanol
English name
(3-METHYL-2-NITRO-3H-IMIDAZOL-4-YL)-METHANOL
Molecular formula
C5H7N3O3
Molecular weight
157.13

Names & synonyms

39070-14-91-methyl-2-nitroimidazole-5-methanol85SM19TN0HNSC-3072241-METHYL-2-NITRO-1H-IMIDAZOLE-5-METHANOLUNII-85SM19TN0H1H-IMIDAZOLE-5-METHANOL, 1-METHYL-2-NITRO-L-8938RefChem:76234(1-methyl-2-nitro-1h-imidazol-5-yl)methanol(3-Methyl-2-nitro-3H-imidazol-4-yl)-methanol(3-methyl-2-nitroimidazol-4-yl)methanol
Show more names
L 8938106964SR 2521EOS-61725(3-Methyl-2-nitro-3H-iMidazol-4-yl)(3-methyl-2-nitro-4-imidazolyl)methanol
(3-METHYL-2-NITRO-3H-IMIDAZOL-4-YL)METHANOLMFCD06738747NSC 307224NSC3072241-METHYL-2-NITRO-5-HYDROXYMETHYLIMIDAZOLEAMY16588BCP062865-Hydroxymethyl-1-methyl-2-nitroimidazole

Database identifiers

CAS
39070-14-9
PubChem CID
70292
DTXSID
DTXSID701382266
UNII
85SM19TN0H
Nikkaji
J743.884B

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
83.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
141 · 141 - 144°C
Boiling point
422.2 · 422.2±37.0 °C(Predicted)
Density
1.54 · 1.54±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
DMSO (Slightly), Methanol (Slightly)
pka
13.8 · 13.80±0.10(Predicted)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use ClassificationPharmaceuticals

Applications

Uses(3-Methyl-2-nitro-3H-imidazol-4-yl)methanol is a chemical reagent used in the synthesis of prodrugs such as those targetting hypoxic tissues.

Suppliers93 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

Related reactions

12 records
New reaction record

Compound notes

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