2-Nitro-1H-benzimidazole

HCID 97234
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Basic information

CAS
5709-67-1
Standard SMILES
O=[N+]([O-])c1nc2ccccc2[nH]1
InChIKey
KRTDQDCPEZRVGC-UHFFFAOYSA-N
Molecular formula
C7H5N3O2
Average molar mass
163.13 g/mol
Monoisotopic mass
163.0381764

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name
2-Nitro-1H-benzimidazole
IUPAC
2-nitro-1H-benzimidazole
English name
1H-Benzimidazole,2-nitro-(9CI)
Molecular formula
C7H5N3O2
Molecular weight
0

Names & synonyms

5709-67-12-Nitrobenzimidazole2-Nitro-1H-benzimidazoleDTXSID10205706RefChem:88710DTXCID001281972-Nitro-1H-benzo[d]imidazole1H-Benzimidazole, 2-nitro-2-NITRO-1H-1,3-BENZODIAZOLENSC 107509NITROBENZIMIDAZOLE1H-Benzimidazole,2-nitro-(9CI)
Show more names
MFCD01658589MLS002703981NSC107509CCRIS 3308Benzimidazole, 2-nitro-BRN 09577232-Nitro-benzimidazoleb5-23-06-00279 (Beilstein Handbook Reference)

Database identifiers

CAS
5709-67-1
PubChem CID
97234
DTXSID
DTXSID10205706
ChEMBL
CHEMBL353153

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
74.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
261 · 261-262℃ (dec.)
Boiling point
290.19 °C · 290.19°C (rough estimate)
Density
1.4141 · 1.4141 (rough estimate)
refractive index
1.55 · 1.5500 (estimate)
storage temp.
2 · 2-8°C
Appearance
Light yellow to yellow Solid

Safety & regulation

Safety data

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

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers20 total

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]

Related reactions

13 records
New reaction record

Compound notes

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