CAS 50893-36-2 Carbonic acid, 1-chloroethyl ethyl ester (HCID 162095)

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Basic information

CAS: 50893-36-2
Standard SMILES: CCOC(=O)OC(C)Cl
InChIKey: YVRGKFXJZCTTRB-UHFFFAOYSA-N
Molecular formula: C5H9ClO3
Average molar mass: 152.57 g/mol
Monoisotopic mass: 152.02402183

Names & identifiers

Preferred name: Carbonic acid, 1-chloroethyl ethyl ester
IUPAC: 1-chloroethyl ethyl carbonate
English name: 1-Chloroethyl ethyl carbonate
Molecular formula: C5H9ClO3
Molecular weight: 152.58

Names & synonyms

50893-36-2Carbonic acid, 1-chloroethyl ethyl esterEINECS 256-832-1DTXSID60885936RefChem:123581DTXCID5010252921-Chloroethyl ethyl carbonate1-Chlorodiethyl CarbonateMFCD000405231-chloroethyl ethoxyformateethyl (1-chloroethyl) carbonateAKOS015907754

Show more names

CEEC1-CHLOROETHYL ETHYL1-chlorobutyl carbonate1-Chloroethyl ethyl carbote1-chloroethy ethyl carbonateEthyl-(1-chloroethyl)-carbonateCarbonic acid 1-chloroethyl=ethyl1-Chloroethyl Ethyl Carbonate >

Carbonic Acid 1-Chloroethyl Ethyl EsterEN300-1075501-Chloroethyl ethyl carbonate, >=98.0% (GC)1-chloroethylethylcarbonate1-ethoxycarbonyloxyethyl chlorideCarbonic acid, 1-chl1-chloroethyl ethylcarbonateethyl 1-chloroethyl carbonate

Database identifiers

CAS: 50893-36-2
PubChem CID: 162095
DTXSID: DTXSID60885936
EC Number: 256-832-1
Nikkaji: J24.069I

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 94.2

Physicochemical properties

Melting point: 159 · 159-161°C
Boiling point: 159 · 159-161 °C(lit.)
Density: 1.136 g/mL · 1.136 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.413
Flash point: 65 °C · 65°C
storage temp.: 2 · 2-8°C
solubility: Chloroform
form: Oil
color: Colourless
BRN: 3536477 · 3536477
Stability: Moisture Sensitive
InChI: 1S/C5H9ClO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3
InChIKey: YVRGKFXJZCTTRB-UHFFFAOYSA-N
SMILES: CCOC(=O)OC(C)Cl
CAS DataBase Reference: 50893 · 50893-36-2(CAS DataBase Reference)
EPA Substance Registry System: 1 · Carbonic acid, 1-chloroethyl ethyl ester (50893-36-2)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 4.7% (2 of 43) of reports.

Warning

H315 (95.3%): Causes skin irritation [Warning Skin corrosion/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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.