1H-Indazole-3,6-diamine
Basic information
- CAS
871709-90-9- Standard SMILES
Nc1ccc2c(N)n[nH]c2c1- InChIKey
FANSCRRHEDYXIH-UHFFFAOYSA-N- Molecular formula
- C7H8N4
- Average molar mass
- 148.17 g/mol
- Monoisotopic mass
- 148.07489627
Names & identifiers
- Preferred name
- 1H-Indazole-3,6-diamine
- IUPAC
- 1H-indazole-3,6-diamine
- English name
- 1H-indazole-3,6-diaMine
- Molecular formula
- C7H8N4
- Molecular weight
- 148.17
Names & synonyms
1H-INDAZOLE-3,6-DIAMINE871709-90-9DTXSID80697053RefChem:238389DTXCID90647802863-365-21H-Indazol-3,6-diamine3,6-diaminoindazoleSCHEMBL9220696-amino-1H-indazol-3-ylamineFANSCRRHEDYXIH-UHFFFAOYSA-NCS-B1155
Show more names
AKOS006361557DB-058147EN300-98459Z1350606408
Database identifiers
- CAS
871709-90-9- PubChem CID
- 53415366
- DTXSID
DTXSID80697053- EC Number
- 863-365-2
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 483.8 · 483.8±25.0 °C(Predicted)
- Density
- 1.486 · 1.486±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 16.5 · 16.50±0.40(Predicted)
- Comptox DTXSID
- 80697053 · DTXSID80697053
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Related reactions
6 records
Compound notes
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