5,6-difluoro-1H-1,3-benzodiazol-2-amine

HCID 10678708CAS 142356-62-5

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1nc2cc(F)c(F)cc2[nH]1
InChIKey: ARMZWEKTPLCJKD-UHFFFAOYSA-N
Molecular formula: C7H5F2N3
Average molar mass: 169.13 g/mol

Names & identifiers

Preferred name: 5,6-difluoro-1H-1,3-benzodiazol-2-amine
IUPAC: 5,6-difluoro-1H-benzimidazol-2-amine
English name: 1H-Benzimidazol-2-amine,5,6-difluoro-(9CI)
Molecular formula: C7H5F2N3
Molecular weight: 169.13

Names & synonyms

5,6-difluoro-1H-1,3-benzodiazol-2-amine142356-62-5RefChem:528022855-707-45,6-difluoro-1H-benzimidazol-2-amine1H-Benzimidazol-2-amine,5,6-difluoro-(9CI)MFCD168455402-Amino-5,6-difluorobenzimidazole5,6-difluoro-1H-benzo[d]imidazol-2-amineSCHEMBL14278ARMZWEKTPLCJKD-UHFFFAOYSA-NSFA35662

Show more names

2-amino-5,6-difluoro-benzimidazoleAKOS011972710CCG-339706BS-466601H-Benzimidazol-2-amine, 5,6-difluoro-CS-0160745E74634EN300-104574

Database identifiers

CAS: 142356-62-5
PubChem CID: 10678708
EC Number: 855-707-4

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 54.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 178

Physicochemical properties

Boiling point: 378.4 · 378.4±45.0 °C(Predicted)
Density: 1.598 · 1.598±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 8.03 · 8.03±0.10(Predicted)
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501