N-Chloroacetylglycine

HCID 233485CAS 6319-96-6

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Grundinformationen

Standard-SMILES: O=C(O)CNC(=O)CCl
InChIKey: DLDTUYIGYMNERN-UHFFFAOYSA-N
Summenformel: C4H6ClNO3
Durchschnittliche Molmasse: 151,55 g/mol
Monoisotopische Masse: 151,0036207

Namen und Bezeichner

Bevorzugter Name: N-Chloroacetylglycine
IUPAC: 2-[(2-chloroacetyl)amino]acetic acid
Englischer Name: N-Chloroacetylglycine
Summenformel: C4H6ClNO3
Molmasse: 151.55

Namen und Synonyme

N-Chloroacetylglycine6319-96-6DTXSID70283545RefChem:1091677DTXCID50234696Chloroac-Gly-OH2-[(2-chloroacetyl)amino]acetic acidn-(chloroacetyl)glycine2-(2-chloroacetamido)acetic acidClAc-Gly-OHMFCD00021733Chloroacetyl glycine

Weitere Namen anzeigen

CHLOROAC-GLYCINEAKOS USSH-4110465N-CHLOROACETYL GLYCHLOROACETYLGLYCINECHLORACETYL GLYCINEClAc-Gly-OH≥ 98% (TLC)N-chloroacetyl-L-glycine

(2-chloroacetyl)glycineGlycine, N-(chloroacetyl)-SCHEMBL1965772HY-W141892FD21633AS-49140CS-0201686n-(2-chloroacetyl)glycine

Datenbank-Bezeichner

CAS: 6319-96-6
PubChem CID: 233485
DTXSID: DTXSID70283545
EC Number: 676-802-5
Nikkaji: J21.924J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 66,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 125

Physikochemische Eigenschaften

Schmelzpunkt: 96 · 96-98°C
storage temp.: 20 °C · −20°C
Wasserlöslichkeit: almost transparency in Water
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 1765217 · 1765217
CAS Datenbank: 6319 · 6319-96-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): 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 5 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.