Basic information
- CAS
1423033-54-8- Standard SMILES
Cl.Nc1nc2ccc(C(F)(F)F)cc2[nH]1- InChIKey
PTJJIMFXQHLHNJ-UHFFFAOYSA-N- Molecular formula
- C8H7ClF3N3
- Average molar mass
- 237.61 g/mol
- Monoisotopic mass
- 237.0280594
Names & identifiers
- Preferred name
- 5-(trifluoromethyl)-1H-1,3-benzodiazol-2-amine hydrochloride
- IUPAC
- 6-(trifluoromethyl)-1H-benzimidazol-2-amine;hydrochloride
Names & synonyms
1423033-54-85-(trifluoromethyl)-1H-1,3-benzodiazol-2-amine hydrochlorideRefChem:531742852-498-15-(Trifluoromethyl)-1H-benzo[d]imidazol-2-amine hydrochloride6-(trifluoromethyl)-1H-benzimidazol-2-amine;hydrochlorideMFCD225659556-(trifluoromethyl)-1H-1,3-benzodiazol-2-amine hydrochlorideYGC03354AKOS026745313SY145072CS-0320942
Show more names
EN300-115063F88358F7235545-(trifluoromethyl)-1H-1,3-benzodiazol-2-amine hydrochlorid5-(trifluoromethyl)-1H-1,3-benzodiazol-2-aminehydrochloride
Database identifiers
- CAS
1423033-54-8- PubChem CID
- 71756909
- EC Number
- 852-498-1
Properties
Computed structural properties
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
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 (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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…