2,4,5-Trifluoro-6-nitrobenzene-1,3-diamine
Basic information
- CAS
2106-00-5- Standard SMILES
Nc1c(F)c(N)c([N+](=O)[O-])c(F)c1F- InChIKey
HGYLISKVTLKRJJ-UHFFFAOYSA-N- Molecular formula
- C6H4F3N3O2
- Average molar mass
- 207.11 g/mol
- Monoisotopic mass
- 207.02556087
Names & identifiers
- Preferred name
- 2,4,5-Trifluoro-6-nitrobenzene-1,3-diamine
- IUPAC
- 2,4,5-trifluoro-6-nitrobenzene-1,3-diamine
- English name
- 1,3-Benzenediamine, 2,4,5-trifluoro-6-nitro-
- Molecular formula
- C6H4F3N3O2
- Molecular weight
- 207.11
Names & synonyms
2,4,5-trifluoro-6-nitrobenzene-1,3-diamine2106-00-5RefChem:442778894-888-42,4,5-trifluoro-6-nitro-benzene-1,3-diamine2,4-diaminotrifluoronitrobenzeneAKOS0243434041,3-Benzenediamine, 2,4,5-trifluoro-6-nitro-
Database identifiers
- CAS
2106-00-5- PubChem CID
- 3623219
- EC Number
- 164-436-4、894-888-4
- Nikkaji
- J850.850J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
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, P317, 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
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