U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H8Cl2O4
Molecular Weight 215.031
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-Butanediyl bis(chloroformate)

SMILES

ClC(=O)OCCCCOC(Cl)=O

InChI

InChIKey=AUKORMQZRYQYGI-UHFFFAOYSA-N
InChI=1S/C6H8Cl2O4/c7-5(9)11-3-1-2-4-12-6(8)10/h1-4H2

HIDE SMILES / InChI

Molecular Formula C6H8Cl2O4
Molecular Weight 215.031
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:05:28 GMT 2025
Edited
by admin
on Tue Apr 01 19:05:28 GMT 2025
Record UNII
9523MYW4VY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Carbonochloridic acid, 1,4-butanediyl ester
Preferred Name English
1,4-Butanediyl bis(chloroformate)
Systematic Name English
1,4-Butanediol, bis(chloroformate)
Systematic Name English
Carbonochloridic acid, C,C?-1,4-butanediyl ester
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
218-466-0
Created by admin on Tue Apr 01 19:05:28 GMT 2025 , Edited by admin on Tue Apr 01 19:05:28 GMT 2025
PRIMARY
PUBCHEM
75085
Created by admin on Tue Apr 01 19:05:28 GMT 2025 , Edited by admin on Tue Apr 01 19:05:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID0062216
Created by admin on Tue Apr 01 19:05:28 GMT 2025 , Edited by admin on Tue Apr 01 19:05:28 GMT 2025
PRIMARY
CAS
2157-16-6
Created by admin on Tue Apr 01 19:05:28 GMT 2025 , Edited by admin on Tue Apr 01 19:05:28 GMT 2025
PRIMARY
FDA UNII
9523MYW4VY
Created by admin on Tue Apr 01 19:05:28 GMT 2025 , Edited by admin on Tue Apr 01 19:05:28 GMT 2025
PRIMARY