5-fluoro-1H-isoindol-3-amine hydrochloride
Basic information
- CAS
1354952-36-5- Standard SMILES
Cl.NC1=NCc2ccc(F)cc21- InChIKey
BNMMHLDSZYAOHY-UHFFFAOYSA-N- Molecular formula
- C8H8ClFN2
- Average molar mass
- 186.61 g/mol
- Monoisotopic mass
- 186.0360041
Names & identifiers
- Preferred name
- 5-fluoro-1H-isoindol-3-amine hydrochloride
- IUPAC
- 6-fluoro-3H-isoindol-1-amine;hydrochloride
Names & synonyms
5-fluoro-1H-isoindol-3-amine hydrochloride1354952-36-5RefChem:535714834-668-76-fluoro-3H-isoindol-1-amine;hydrochlorideAKOS0267263065-fluoro-1H-isoindol-3-aminehydrochlorideCS-0263038EN300-84862
Database identifiers
- CAS
1354952-36-5- PubChem CID
- 54595026
- EC Number
- 834-668-7
Properties
Computed structural properties
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
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
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