Basic information
- 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 properties
- 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)
- InChIKey
- XBTOSRUBOXQWBO-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(N)C=C2)C=N1
- CAS DataBase Reference
- 19335 · 19335-11-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 B06TDT72 · A5B06TDT72
- EPA Substance Registry System
- 5 · 5-Aminoindazole (19335-11-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 301 · P301+P310+P330-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- T,Xn
- Risk Statements
- 25 · 25-36/37/38
- Safety Statements
- 26 · 26-36-45-37/39
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 7711000 · NK7711000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29339900 · 29339900
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
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
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P301+P310+P330-P302+P352-P305+P351+P338
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
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
Related reactions
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