N-Benzylformamide

HCID 80654CAS 6343-54-0

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Grundinformationen

Standard-SMILES: O=CNCc1ccccc1
InChIKey: IIBOGKHTXBPGEI-UHFFFAOYSA-N
Summenformel: C8H9NO
Durchschnittliche Molmasse: 135,16 g/mol
Monoisotopische Masse: 135,06841391

Namen und Bezeichner

Bevorzugter Name: N-Benzylformamide
IUPAC: N-benzylformamide
Englischer Name: N-BENZYLFORMAMIDE
Summenformel: C8H9NO
Molmasse: 135.16

Namen und Synonyme

N-Benzylformamide6343-54-0benzylformamideNSC-16247L363D92ELKCHEBI:41117DTXSID40212842RefChem:162958DTXCID70135333228-739-6Benzyl formamideN-Formylbenzylamine

Weitere Namen anzeigen

N-BenzylformamidVITAS-BB TBB000670Formamide,N-benzyl-N-Benzylformamide>N-Benzylformamide,99%

Formamide, N-(phenylmethyl)-N-(phenylmethyl)formamideN-benzyl-formamideMFCD00003281UNII-L363D92ELKCHEMBL46293NSC16247DB02481

Datenbank-Bezeichner

CAS: 6343-54-0
PubChem CID: 80654
DTXSID: DTXSID40212842
ChEMBL: CHEMBL46293
ChEBI: CHEBI:41117
UNII: L363D92ELK
EC Number: 228-739-6
Nikkaji: J206.948B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 97

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1402

Physikochemische Eigenschaften

Schmelzpunkt: 60 · 60-61 °C(lit.)
Siedepunkt: 248.86 °C · 248.86°C (rough estimate)
Dichte: 1.1031 · 1.1031 (rough estimate)
Brechungsindex: 1.5635 · 1.5635 (rough estimate)
storage temp.: -20 °C, · -20°C, Inert atmosphere
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 16.35 · 16.35±0.23(Predicted)
Farbe: White to Pale Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334 (97.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.