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1H-Benzimidazole, 6-nitro-, sodium salt (1:1)

HCID 171024
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
51349-86-1
Standard SMILES
O=[N+]([O-])c1ccc2[n-]cnc2c1.[Na+]
InChIKey
QDTXMHPOJKYAJZ-UHFFFAOYSA-N
Molecular formula
C7H4N3NaO2
Average molar mass
185.12 g/mol
Monoisotopic mass
185.02012066

Names & identifiers

Preferred name
1H-Benzimidazole, 6-nitro-, sodium salt (1:1)
IUPAC
sodium 5-nitrobenzimidazol-1-ide

Names & synonyms

51349-86-1EINECS 257-146-51H-Benzimidazole, 6-nitro-, sodium salt (1:1)RefChem:4380841H-Benzimidazole, 5-nitro-, sodium salt6-nitrobenzimidazole sodium saltsodium;5-nitrobenzimidazol-1-ideSodium 5-nitrobenzo[d]imidazol-1-ide1172847-45-85-Nitro-1H-benzimidazole, sodium saltT3LA997LPQDTXSID7068633
Show more names
AKOS006272119Sodium 6-nitro-1,3-benzimidazol-1-ideDB-051950CS-0287347

Database identifiers

CAS
51349-86-1
PubChem CID
171024
DTXSID
DTXSID7068633
UNII
T3LA997LPQ
EC Number
257-146-5

Properties

Computed structural properties

Topological polar surface area
59.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
13
Formal charge
0
Complexity
192

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Benzimidazole, 6-nitro-, sodium salt (1:1): INACTIVE

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes