2-Amino-5,6-dichlorobenzimidazole

HCID 466016CAS 18672-03-2

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Basic information

Standard SMILES: Nc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIKey: HAADRTMPUSJNOI-UHFFFAOYSA-N
Molecular formula: C7H5Cl2N3
Average molar mass: 202.04 g/mol
Monoisotopic mass: 200.98605252

Names & identifiers

Preferred name: 2-Amino-5,6-dichlorobenzimidazole
IUPAC: 5,6-dichloro-1H-benzimidazol-2-amine
English name: 5,6-DICHLORO-1H-BENZIMIDAZOL-2-AMINE
Molecular formula: C7H5Cl2N3
Molecular weight: 202.04

Names & synonyms

18672-03-22-Amino-5,6-dichlorobenzimidazoleDTXSID40332776RefChem:255629DTXCID30283869HAADRTMPUSJNOI-UHFFFAOYSA-N5,6-dichloro-1H-benzo[d]imidazol-2-amine5,6-Dichloro-1H-benzimidazol-2-amineMFCD082346025,6-dichloro-1H-1,3-benzodiazol-2-amine2-Amino-5,6-dichloro-1H-benzimidazoleCHEMBL71905

Show more names

SCHEMBL2160565,6-Dichlorobenzimidazole-2-ylamineAKOS005266176DS-176051H-Benzimidazol-2-amine, 5,6-dichloro-5,6-Dichloro-1H-benzimidazol-2-amine #5,6-Dichloro-1H-1,3-benzimidazol-2-amineCS-0097797

Database identifiers

CAS: 18672-03-2
PubChem CID: 466016
DTXSID: DTXSID40332776
ChEMBL: CHEMBL71905
Nikkaji: J395.454D

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 54.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 178

Physicochemical properties

Melting point: 244 · 244-246℃
Boiling point: 435.4 · 435.4±48.0 °C(Predicted)
Density: 1.665 · 1.665±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 8.47 · 8.47±0.10(Predicted)
Appearance: Light yellow to light brown Solid
CAS DataBase Reference: 18672 · 18672-03-2
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a