CAS 2250-55-7 3-Amino-6-(trifluoromethyl)-1H-indazole (HCID 817909)

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Basic information

CAS: 2250-55-7
Standard SMILES: Nc1n[nH]c2cc(C(F)(F)F)ccc12
InChIKey: ZMPFPQFXUYYHSJ-UHFFFAOYSA-N
Molecular formula: C8H6F3N3
Average molar mass: 201.15 g/mol
Monoisotopic mass: 201.05138185

Names & identifiers

Preferred name: 3-Amino-6-(trifluoromethyl)-1H-indazole
IUPAC: 6-(trifluoromethyl)-1H-indazol-3-amine
English name: 3-AMINO-6-(TRIFLUOROMETHYL)-1H-INDAZOLE
Molecular formula: C8H6F3N3
Molecular weight: 201.15

Names & synonyms

3-Amino-6-(trifluoromethyl)-1H-indazoleRefChem:497448640-867-86-(trifluoromethyl)-1h-indazol-3-amine2250-55-7MFCD034266956-(trifluoromethyl)-1H-indazol-3-ylamineSCHEMBL26626773-amino-6-trifluoromethylindazoleDTXSID70355872AR-1L3889SBB092734

Show more names

6-TRIFLUOROMETHYL-1H-INDAZOLYLAMINE3-amino-6-trifluoromethyl-1-indazole1H-Indazol-3-amine, 6-(trifluoromethyl)-6-(trifluoromethyl)-1H-indoleazole-3-amine

AKOS005070794SB163146-trifluoro methyl-1H-indazole-3-amine6-(trifluoromethyl)-1H-indazole-3-amineSY2296176-(trifluoromethyl)-1H-indazole-3-ylamineCS-0213455EN300-7409110

Database identifiers

CAS: 2250-55-7
PubChem CID: 817909
DTXSID: DTXSID70355872
EC Number: 640-867-8

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 54.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 218

Physicochemical properties

Melting point: 170 · 170-172°
Boiling point: 358.5 · 358.5±37.0 °C(Predicted)
Density: 1.536 · 1.536±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
form: Crystalline Powder
pka: 13.05 · 13.05±0.40(Predicted)
color: Yellow to brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 280 · P280-P271
Hazard Codes: T
Risk Statements: 20 · 20/21/22-25
Safety Statements: 22 · 22-36/37/39-45
RIDADR: 2811 · UN2811
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: UN2811
hs_code: 29339980
risk_code: 20/21/22-25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 22-36/37/39-45
hazard_class: IRRITANT
Hazard statements: H302+H312+H332-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)
Precautionary statements: P280-P271