5-Chloro-1,2,3-benzenetriamine
Basic information
- CAS
100114-53-2- Standard SMILES
Nc1cc(Cl)cc(N)c1N- InChIKey
JIGLHKJLEWNHSS-UHFFFAOYSA-N- Molecular formula
- C6H8ClN3
- Average molar mass
- 157.6 g/mol
- Monoisotopic mass
- 157.040675
Names & identifiers
- Preferred name
- 5-Chloro-1,2,3-benzenetriamine
- IUPAC
- 5-chlorobenzene-1,2,3-triamine
Names & synonyms
5-chlorobenzene-1,2,3-triamine100114-53-25-Chloro-1,2,3-benzenetriamineDTXSID001306445RefChem:534210DTXCID701736407822-446-2NSC364048NSC-364048EN300-1706984
Database identifiers
- CAS
100114-53-2- PubChem CID
- 339104
- DTXSID
DTXSID001306445- EC Number
- 822-446-2
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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