2-Isopropyl-5-nitro-1H-benzo[d]imidazole

HCID 683202

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Basic information

CAS: 16405-84-8
Standard SMILES: CC(C)c1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIKey: HPTQXZVPWMFRBA-UHFFFAOYSA-N
Molecular formula: C10H11N3O2
Average molar mass: 205.21 g/mol
Monoisotopic mass: 205.0851266

Names & identifiers

Preferred name: 2-Isopropyl-5-nitro-1H-benzo[d]imidazole
IUPAC: 6-nitro-2-propan-2-yl-1H-benzimidazole
English name: 2-Isopropyl-5-nitro-1H-benzimidazole
Molecular formula: C10H11N3O2
Molecular weight: 205.21

Names & synonyms

2-Isopropyl-5-nitro-1H-benzo[d]imidazole16405-84-8Oprea1_673208SCHEMBL271676SCHEMBL2716772-isopropyl-5-nitrobenzimidazole2-(methylethyl)-6-nitrobenzimidazoleAKOS002677422AKOS023170279ST0075302-ISOPROPYL-6-NITRO-1H-BENZOIMIDAZOLE1H-1,3-Benzimidazole, 2-(1-methylethyl)-6-nitro-

Show more names

2-Isopropyl-5-nitro-1H-benzimidazole

Database identifiers

CAS: 16405-84-8
PubChem CID: 683202
EC Number: 159-541-7

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 74.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 252

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.