2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

HCID 46930432
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Grundinformationen

CAS
1030825-20-7
Standard-SMILES
Cc1ccc(Br)cc1Cc1ccc(-c2ccc(F)cc2)s1
InChIKey
VLRIERSBZHUCOW-UHFFFAOYSA-N
Summenformel
C18H14BrFS
Durchschnittliche Molmasse
361,3 g/mol
Monoisotopische Masse
359,99836

Namen und Bezeichner

Bevorzugter Name
2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene
IUPAC
2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene
Englischer Name
2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene
Summenformel
C18H14BrFS
Molmasse
361.27

Namen und Synonyme

2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiopheneW76HXE3GL52-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)thiopheneDTXSID106773682-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiopheneThiophene, 2-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)-Thiophene, 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-RefChem:197605DTXCID50628117807-103-71030825-20-7
Weitere Namen anzeigen
)-5-(4-fLCanogliflozinCanagliflozin-19CanagliflozinINT2-(5-Bromo-2-methyLCAGLIFLOZIN IMPURITY CCanagliflozin Bromo Imp
2-(4-fluorophenyl)-5-[(5-bromo-2-methylphenyl)methyl]thiopheneMFCD21496340Canagliflozin INT4AC-263082-[(5-Bromo-2-methyl-phenyl)methyl]-5-(4-fluorophenyl)thiopheneCanagliflozin intermediate22-[(5-Bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-thiopheneCanagliflozin Impurity 40

Datenbank-Bezeichner

CAS
1030825-20-7
PubChem CID
46930432
DTXSID
DTXSID10677368
UNII
W76HXE3GL5
EC Number
807-103-7
Nikkaji
J2.840.019E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6,4
Polarare Oberfläche (TPSA)
28,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
21

Physikochemische Eigenschaften

Schmelzpunkt
103 °C · 103 °C
Siedepunkt
438.3 · 438.3±40.0 °C(Predicted)
Dichte
1.388 · 1.388
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
DMSO (Slightly, Heated), Hexanes (Slightly, Heated)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+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.；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 CategoriesSkin Irrit. 2 (50%)；Skin Sens. 1 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)

Sicherheitsdaten

hs_code
2934999090

Chemie und Industrie

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
上海同昌生物医药科技有限公司+86-21-33282107
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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