4-iodo-1H-indazol-3-amine
Basic information
- CAS
599191-73-8- Standard SMILES
Nc1n[nH]c2cccc(I)c12- InChIKey
OEQIVIYSUJXCFG-UHFFFAOYSA-N- Molecular formula
- C7H6IN3
- Average molar mass
- 259.05 g/mol
- Monoisotopic mass
- 258.96064
Names & identifiers
- Preferred name
- 4-iodo-1H-indazol-3-amine
- IUPAC
- 4-iodo-1H-indazol-3-amine
- English name
- 4-Iodo-1H-indazol-3-ylamine
- Molecular formula
- C7H6IN3
- Molecular weight
- 259.05
Names & synonyms
4-iodo-1H-indazol-3-amine599191-73-8DTXSID60398859RefChem:293495DTXCID903497184-Iodo-1H-indazol-3-ylamine3-Amino-4-iodo-1H-indazoleMFCD034266971H-INDAZOL-3-AMINE, 4-IODO-3-Amino-4-iodoindazoleCHEMBL42264864-Iodo-1H-indazol-amine
Show more names
4-l0d0-1H-indazol-3-amine4-iodo-1H-indazol-4-amine3-Amino-4-iodo-1H-indazol...
4-iodo-1H-indazole-3-amineSCHEMBL420988OEQI4-iodo-1H-indazole-3-ylamineSCHEMBL29371666OEQIVIYSUJXCFG-UHFFFAOYSA-NCS-M0335BDBM50459976
Database identifiers
- CAS
599191-73-8- PubChem CID
- 4057787
- DTXSID
DTXSID60398859- ChEMBL
CHEMBL4226486
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 154 · 154-155°
- Boiling point
- 452.2 · 452.2±25.0 °C(Predicted)
- Density
- 2.168 · 2.168±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Crystalline Solid
- pka
- 13.85 · 13.85±0.40(Predicted)
- color
- Off-white to brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 301 · P301+P312-P302+P352-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 29339980 · 29339980
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
- 29339980
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
11 records
Compound notes
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