2'-Bromoacetanilide

HCID 136416CAS 614-76-6

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Grundinformationen

Standard-SMILES: CC(=O)Nc1ccccc1Br
InChIKey: VOBKUOHHOWQHFZ-UHFFFAOYSA-N
Summenformel: C8H8BrNO
Durchschnittliche Molmasse: 214,06 g/mol
Monoisotopische Masse: 212,97893

Namen und Bezeichner

Bevorzugter Name: 2'-Bromoacetanilide
IUPAC: N-(2-bromophenyl)acetamide
Englischer Name: 2'-Bromoacetanilide
Summenformel: C8H8BrNO
Molmasse: 214.06

Namen und Synonyme

N-(2-Bromophenyl)acetamide2'-BromoacetanilideRefChem:439577627-343-4614-76-62-bromoacetanilideo-BromoacetanilideAcetamide, N-(2-bromophenyl)-MFCD00099252Acetanilide, 2'-bromo-N-(2-bromo-phenyl)-acetamideo-bromo acetanilide

Weitere Namen anzeigen

NISTC6147662'-Bromoacetanilide >N-Acetyl-2-bromoaniline2'-Bromoacetanilide, 98+%

2-(Acetylamino)bromobenzene; 2-Bromo-N-acetylaniline; 2'-Bromoacetanilide; N-(2- Bromophenyl)acetamide; N-Acetyl-2-bromoaniline; o-Bromoacetanilideortho-bromoacetanilide2-Bromo-N-acetylaniline2'-Bromoacetanilide, 96%2-bromo-1-acetylaminobenzeneSCHEMBL4226362-bromo-1-acetylamino-benzeneN-(2-Bromophenyl)acetamide #

Datenbank-Bezeichner

CAS: 614-76-6
PubChem CID: 136416
DTXSID: DTXSID10210330
EC Number: 627-343-4
Nikkaji: J29.484E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 149

Physikochemische Eigenschaften

Schmelzpunkt: 96.5 · 96.5-100.5 °C(lit.)
Siedepunkt: 346.8 · 346.8±25.0 °C(Predicted)
Dichte: 1.543 · 1.543±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 14.19 · 14.19±0.70(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White
BRN: 2086970 · 2086970
CAS Datenbank: 614 · 614-76-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 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.