2-Bromo-N-phenylacetamide

HCID 94818CAS 5326-87-4

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Grundinformationen

Standard-SMILES: O=C(CBr)Nc1ccccc1
InChIKey: DCPLOIFDMMEBQZ-UHFFFAOYSA-N
Summenformel: C8H8BrNO
Durchschnittliche Molmasse: 214,06 g/mol
Monoisotopische Masse: 212,97892598

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-N-phenylacetamide
IUPAC: 2-bromo-N-phenylacetamide
Englischer Name: 2-Bromo-N-phenyl-acetamide
Summenformel: C8H8BrNO
Molmasse: 214.06

Namen und Synonyme

2-Bromo-N-phenylacetamide5326-87-4CCRIS 1812NSC 4080DTXSID10201384RefChem:85833DTXCID101238752-bromo-N-phenyl-acetamideMFCD00462518N-phenyl-2-bromoacetamideAcetamide, 2-bromo-N-phenyl-2-Bromoacetoanilide

Weitere Namen anzeigen

AKOS BB/01402-bromo-N-phenyl-ethanamidephenylcarbaMoylMethylbroMide2-bromo-N-phenylacetamide(SALTDATA: FREE)

Acetamide,bromo-N-phenyl- (9CI)BromacetanilidCHEMBRDG-BB 4023663N-Phenylbromoacetamide2-bromo-n-phenyl acetamidephenylcarbamoylmethyl bromideAKOS BBB/492(2-Bromoacetyl)amino benzene

Datenbank-Bezeichner

CAS: 5326-87-4
PubChem CID: 94818
DTXSID: DTXSID10201384
EC Number: 979-515-6
Nikkaji: J443.957K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 132

Physikochemische Eigenschaften

Schmelzpunkt: 132 °C · 132 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Siedepunkt: 353.3 · 353.3±25.0 °C(Predicted)
Dichte: 1.577 · 1.577±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
pka: 12.53 · 12.53±0.70(Predicted)
InChI: 1S/C8H8BrNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKey: DCPLOIFDMMEBQZ-UHFFFAOYSA-N
SMILES: BrCC(=O)Nc1ccccc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (50%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2924190090
risk_code: 25-36
hazard_code: T
safety_code: 26-45
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Darstellung · 1 Eintrag

synthetischeA clean iodine flask rinsed with distilled water was taken and addition of 10 ml solution of 10 % sodium carbonate was done. Then 0.05g of aniline was poured and mixedevenly. Then slow and safe addition of acid was done and shaken properly until ppts of acetamide appeared. Filtered it and dried the ppts. Confirmation of reaction was checked by performing TLC. Solid product then obtained was weighed and kept.