Benzamide, 4-bromo-2-fluoro-N-methyl-

HCID 24694329

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Grundinformationen

CAS: 749927-69-3
Standard-SMILES: CNC(=O)c1ccc(Br)cc1F
InChIKey: BAJCFNRLEJHPTQ-UHFFFAOYSA-N
Summenformel: C8H7BrFNO
Durchschnittliche Molmasse: 232,05 g/mol
Monoisotopische Masse: 230,96950416

Namen und Bezeichner

Bevorzugter Name: Benzamide, 4-bromo-2-fluoro-N-methyl-
IUPAC: 4-bromo-2-fluoro-N-methylbenzamide
Englischer Name: 4-Bromo-2-fluoro-N-methylbenzamide
Summenformel: C8H7BrFNO
Molmasse: 232.05

Namen und Synonyme

Benzamide, 4-bromo-2-fluoro-N-methyl-RefChem:561466808-257-84-Bromo-2-fluoro-N-methylbenzamide749927-69-3N-METHYL 4-BROMO-2-FLUOROBENZAMIDEN-methyl-4-bromo-2-fluorobenzamideEnzalutamide Impurity BMFCD098783624-Bromo-2-fluoro-N-methyl-benzamideSCHEMBL1648482PB47809

Weitere Namen anzeigen

N-METHYL 4-BROMO-2-FLUOROSKL778EZLA-ZZC-0/EZLA-S1Enzalutamide ImpuritiesBEnzalutamide Impurity 14Enzalutamide Impurity 62Enzalutamide EP Impurity BEChemicalbooknzalutamideImpurity14

SY037918CS-0008505AMY16495BCP28346FT-0696837AB8K8C58HRA856460DTXSID80640781

Datenbank-Bezeichner

CAS: 749927-69-3
PubChem CID: 24694329
DTXSID: DTXSID80640781
UNII: AB8K8C58HR
EC Number: 808-257-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 176

Physikochemische Eigenschaften

Schmelzpunkt: 125 to · 125.0 to 129.0 °C
Siedepunkt: 284.8 · 284.8±30.0 °C(Predicted)
Dichte: 1.545 · 1.545±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 13.76 · 13.76±0.46(Predicted)
Farbe: White to Off-White
InChIKey: BAJCFNRLEJHPTQ-UHFFFAOYSA-N
CAS Datenbank: 749927 · 749927-69-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 62.5% (5 of 8) of all reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.