Bay-H-1127

BAY h 1127 · 3-amino-5-(trifluoromethyl)-1H-indazole · 1H-Indazol-3-amine, 5-(trifluoromethyl)- · [5-(trifluoromethyl)-1H-indazol-3-yl]amine · 3-Amino-5-(trifluoromethyl)-1H-indazole95% · 3-Amino-5-(trifluoromethyl)-1H-indazole,97% · 3-Amino-5-(trifluoromethyl)-1H-indazole 95% · 3-Amino-5-(trifluoromethyl)-1H-indazole, 95%

https://huagongshe.com/de/chemical/16736

Identifikatoren & physikalische Daten

CAS No.	2250-53-5
Summenformel	C8H6F3N3
Durchschnittliche Molmasse	201,15 g/mol
Monoisotopische Masse	201,05138169 g/mol
SMILES	Nc1n[nH]c2ccc(C(F)(F)F)cc12
InChIKey	ZXZTZRVCWTWKCH-UHFFFAOYSA-N
PubChem CID	16736
EC No.	642-780-0
DTXSID	DTXSID60177025

Chemische & physikalische Eigenschaften

XLogP	2,1
Polarare Oberfläche (TPSA)	54,7
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	0
Schwere Atome	14
Formalladung	0
Komplexität	218
Schmelzpunkt	114-118°
Siedepunkt	358.5±37.0 °C(Predicted)
Dichte	1.536±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C, protect from light
Aggregatzustand	Crystalline Powder
pKa (Säurekonstante)	13.51±0.40(Predicted)
Farbe	White to yellow

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 3 (100%)Acute Tox. 3 (33.3%)Skin Irrit. 2 (83.3%)Eye Irrit. 2 (83.3%)Acute Tox. 3 (16.7%)
Zollcode	29339980
Toxizität	rat,LD50,oral,90mg/kg (90mg/kg),Archives of Toxicology. Vol. 54, Pg. 275, 1983.
Gefahrenklasse	6.1

Anwendungen & Verwendung

Verwenden

Used as pharmaceutical intermediate.