Bay-H-1127

HCID 16736CAS 2250-53-5
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Grundinformationen

Standard-SMILES
Nc1n[nH]c2ccc(C(F)(F)F)cc12
InChIKey
ZXZTZRVCWTWKCH-UHFFFAOYSA-N
Summenformel
C8H6F3N3
Durchschnittliche Molmasse
201,15 g/mol
Monoisotopische Masse
201,05138169

Namen und Bezeichner

Bevorzugter Name
Bay-H-1127
IUPAC
5-(trifluoromethyl)-1H-indazol-3-amine
Englischer Name
BAY h 1127
Summenformel
C8H6F3N3
Molmasse
201.15

Namen und Synonyme

5-(Trifluoromethyl)-1H-indazol-3-amineBAY h 11273-Amino-5-(trifluoromethyl)-1H-indazole1H-Indazol-3-amine, 5-(trifluoromethyl)-14HRX76GHKBay-H-1127BRN 09590703-amino-5-trifluoromethylindazole1H-Indazole, 3-amino-5-(trifluoromethyl)-UNII-14HRX76GHKDTXSID60177025RefChem:199716
Weitere Namen anzeigen
[5-(trifluoromethyl)-1H-indazol-3-yl]amine3-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%5-(trifluoromethyl)-1H-indazol-3-amine - [T85341]
DTXCID60995161H-Indazol-3-amine, 5-(trifluoromethyl)-(9CI)2250-53-5MFCD017197405-(trifluoromethyl)-1H-indazole-3-ylamine5-(trifluoromethyl)-1H-indazole-3-amine1H-Indazol-3-amine, 5-(trifluoromethyl)- (9CI)orb3022501

Datenbank-Bezeichner

CAS
2250-53-5
PubChem CID
16736
DTXSID
DTXSID60177025
UNII
14HRX76GHK
EC Number
642-780-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,1
Polarare Oberfläche (TPSA)
54,7 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
0
Schwere Atome
14

Physikochemische Eigenschaften

Schmelzpunkt
114 · 114-118°
Siedepunkt
358.5 · 358.5±37.0 °C(Predicted)
Dichte
1.536 · 1.536±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, protect from light
Aggregatzustand
Crystalline Powder
pka
13.51 · 13.51±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (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 exposure; Respiratory 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (33.3%)；Skin Irrit. 2 (83.3%)；Eye Irrit. 2 (83.3%)；Acute Tox. 3 (16.7%)

Sicherheitsdaten

hs_code
29339980
Toxizität
rat,LD50,oral,90mg/kg (90mg/kg),Archives of Toxicology. Vol. 54, Pg. 275, 1983.
hazard_class
6.1

Chemie und Industrie

Anwendungen

VerwendenUsed as pharmaceutical intermediate.

Anbieter39 Anbieter

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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