7-Aminobenzimidazole
Basic information
- CAS
4331-29-7- Standard SMILES
Nc1cccc2[nH]cnc12- InChIKey
NZJKEQFPRPAEPO-UHFFFAOYSA-N- Molecular formula
- C7H7N3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.06399722
Names & identifiers
- Preferred name
- 7-Aminobenzimidazole
- IUPAC
- 1H-benzimidazol-4-amine
- English name
- 1H-Benzimidazol-7-amine
- Molecular formula
- C7H7N3
- Molecular weight
- 133.15
Names & synonyms
4331-29-71H-Benzimidazol-4-amine1H-benzimidazol-7-amine4-Aminobenzimidazole1H-1,3-benzodiazol-4-amineBENZIMIDAZOLE, 4-AMINO-7-Aminobenzimidazole1H-Benzimidazole-4-amine1H-benzimidazol-4-ylamineBenzimidazole, 4(or 7)-amino-4I33QGV1TNNSC 143985
Show more names
1H-benzo[d]imidazol-4-amine4-Amino-1H-benzimidazole1H-1,3-benzodiazol-7-aMine3H-benzo[d]imidazol-4-amine1H-Benzimidazol-4-amine(9CI)1H-benzimidazol-7-amine hydrochloride
NSC-143985BENZIMIDAZOL-4-YLAMINEDTXSID20195821RefChem:545412DTXCID601183121H-Benzimidazol-4-amine (9CI)Benzimidazole, 4(or 7)-amino-(7CI)800-877-7
Database identifiers
- CAS
4331-29-7- PubChem CID
- 20329
- DTXSID
DTXSID20195821- UNII
- 4I33QGV1TN
- EC Number
- 800-877-7
- Nikkaji
- J2.211J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 120 · 120-121 °C
- Boiling point
- 476.1 · 476.1±18.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- solid
- pka
- 13.6 · 13.60±0.30(Predicted)
- color
- Red-brown
- FDA UNII
- 4 I33QGV1TN · 4I33QGV1TN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
- Toxicity
- 100 mLg/plate · mic-sat 100 mLg/plate MUREAV 28,273,1975
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
Warning
H302 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2933998090
- Toxicity
- mic-sat 100 mLg/plate MUREAV 28,273,1975
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3H-benzo[D]imidazol-4-amine is an amine derivative, mainly used as a basic raw material, organic intermediate, and pharmaceutical intermediate.
Suppliers
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Related reactions
5 records
Compound notes
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