5-Chloro-7-nitroisoquinolin-8-amine
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Basic information
- CAS
1246738-26-0- Standard SMILES
Nc1c([N+](=O)[O-])cc(Cl)c2ccncc12- InChIKey
YAQAGXKRDZXHMD-UHFFFAOYSA-N- Molecular formula
- C9H6ClN3O2
- Average molar mass
- 223.61 g/mol
- Monoisotopic mass
- 223.0148541
Names & identifiers
- Preferred name
- 5-Chloro-7-nitroisoquinolin-8-amine
- IUPAC
- 5-chloro-7-nitroisoquinolin-8-amine
- English name
- 5-Chloro-7-nitroisoquinolin-8-amine
- Molecular formula
- C9H6ClN3O2
- Molecular weight
- 223.62
Names & synonyms
5-Chloro-7-nitroisoquinolin-8-amine1246738-26-0MFCD171673195-chloro-7-nitro-isoquinolin-8-amine8-Amino-5-chloro-7-nitroisoquinolineAKOS015850164KE-0009CS-03383278-Isoquinolinamine, 5-chloro-7-nitro-8-Amino-5-chloro-7-nitroisoquinoline 95+%
Database identifiers
- CAS
1246738-26-0- PubChem CID
- 51000266
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 445.1 · 445.1±40.0 °C(Predicted)
- Density
- 1.565 · 1.565±0.06 g/cm3(Predicted)
- pka
- 3.46 · 3.46±0.39(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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