1H-Indazol-5-amine
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Basic information
- CAS
19335-11-6- Standard SMILES
Nc1ccc2[nH]ncc2c1- InChIKey
XBTOSRUBOXQWBO-UHFFFAOYSA-N- Molecular formula
- C7H7N3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.06399722
Names & identifiers
- Preferred name
- 1H-Indazol-5-amine
- IUPAC
- 1H-indazol-5-amine
- English name
- 5-Aminoindazole
- Molecular formula
- C7H7N3
- Molecular weight
- 133.15
Names & synonyms
5-Aminoindazole1H-Indazol-5-amine19335-11-65-Amino-1H-indazole1H-Indazole, 5-amino-A5B06TDT72NSC-44676DTXSID2066480AC-30454RefChem:101992DTXCID9036060242-971-5
Show more names
5-indazolamineindazol-5-ylamine5-amino-1h-indazol5-Aminoindazole,97%5-Aminoindazole,99%5-Aminoindazole 98%IFLAB-BB F2108-0020TIMTEC-BB SBB006576
2H-Indazol-5-amine918903-42-11H-Indazol-5-ylamine5-AMINOBENZOPYRAZOLEMFCD000379755-Amino-indazole1~{h}-Indazol-5-AmineCHEMBL17551
Database identifiers
- CAS
19335-11-6- PubChem CID
- 88012
- DTXSID
DTXSID2066480- ChEMBL
CHEMBL17551- UNII
- A5B06TDT72
- EC Number
- 242-971-5
- Nikkaji
- J40.998G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
LogP0.65
Solubility17.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 175 · 175-178 °C (lit.)
- Boiling point
- 235.67 °C · 235.67°C (rough estimate)
- Density
- 1.1873 · 1.1873 (rough estimate)
- refractive index
- 1.5341 · 1.5341 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 14.52 · 14.52±0.40(Predicted)
- color
- White to Brown
- BRN
- 3259 · 3259
- InChI
- InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)
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]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1H-Indazol-5-amine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NK7711000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29339900
- risk_code
- 25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,Xn
- safety_code
- 26-36-45-37/39
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indazol-5-amine: INACTIVE
Applications
Uses5-Amino-1H-indazole is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
216 records
Compound notes
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