N-Chloroacetylglycine

HCID 233485

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Basic information

CAS: 6319-96-6
Standard SMILES: O=C(O)CNC(=O)CCl
InChIKey: DLDTUYIGYMNERN-UHFFFAOYSA-N
Molecular formula: C4H6ClNO3
Average molar mass: 151.55 g/mol
Monoisotopic mass: 151.0036207

Names & identifiers

Preferred name: N-Chloroacetylglycine
IUPAC: 2-[(2-chloroacetyl)amino]acetic acid
English name: N-Chloroacetylglycine
Molecular formula: C4H6ClNO3
Molecular weight: 151.55

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 125

Physicochemical properties

Melting point: 96 · 96-98°C
storage temp.: 20 °C · −20°C
Water Solubility: almost transparency in Water
form: powder to crystal
color: White to Almost white
BRN: 1765217 · 1765217
CAS DataBase Reference: 6319 · 6319-96-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 2922.49 · 2922.49.4950
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 5 items

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.