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Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester

HCID 81365
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Basic information

CAS
6941-69-1
Standard SMILES
O=C(CCl)OCCOC(=O)CCl
InChIKey
HIIBHBNRMVLLKH-UHFFFAOYSA-N
Molecular formula
C6H8Cl2O4
Average molar mass
215.03 g/mol
Monoisotopic mass
213.9799641

Names & identifiers

Preferred name
Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) ester
IUPAC
2-(2-chloroacetyl)oxyethyl 2-chloroacetate
English name
ETHYLENE GLYCOL BIS(MONOCHLOROACETATE)
Molecular formula
C6H8Cl2O4
Molecular weight
215.03

Names & synonyms

6941-69-1Ethylene bis(chloroacetate)AI3-02151Acetic acid, chloro-, 1,2-ethanediyl esterDTXSID90219568Acetic acid, 2-chloro-, 1,1'-(1,2-ethanediyl) esterRefChem:1075753DTXCID40142059230-096-11,2-Bis(chloroacetoxy)ethaneETHYLENEGLYCOLBIS(MONOCHLOROACETATE)2-(2-chloroacetyl)oxyethyl 2-chloroacetate
Show more names
LES20Nsc22574AKOS BC-3012IFLAB-BB F1983-00362,6-Dichloro-6-fluoropyridinETHYLENE GLYCOL BISCHLOROACETATEethyleneglycolbis(chloroethanoate)
Ethylene Glycol Bis(monochloroacetate)Ethylene glycol dichloroacetateMFCD00045277Ethyleneglycol bischloro acetateethyleneglycol bis(chloroethanoate)NSC-22574Poly(oxy-1,2-ethanediyl), alpha-(2-chloroacetyl)-omega-[(2-chloroacetyl)oxy]-56867-89-1

Database identifiers

CAS
6941-69-1
PubChem CID
81365
DTXSID
DTXSID90219568
UNII
AAL3X9YZW7
EC Number
230-096-1
Nikkaji
J26.222F

Properties

Computed structural propertiesFilling in

XLogP
1.2
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
12
Formal charge
0
Complexity
142

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
41 °C · 41 °C
Boiling point
158 °C · 158 °C / 8mmHg
Density
1.5137 · 1.5137 (rough estimate)
refractive index
1.457 · 1.4570 (estimate)
form
powder to lump
color
White to Almost white
FDA UNII
3 X9YZW7 · AAL3X9YZW7
HS Code
2915.4 · 2915.40.5050

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2915.40.5050

Chemistry & industry

Upstream & downstream products

Downstream products

HYDROQUINONE-O,O'-DIACETIC ACID

Related reactions

3 records
New reaction record
HRID 384567 reaction equation
HRID 384567As productuspto-grants-2013_02
HRID 1038293 reaction equation
HRID 1038293As productuspto-grants-2013_10
HRID 1060201 reaction equation
HRID 1060201As reactantuspto-grants-2003_02

Compound notes

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