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Details

Stereochemistry ACHIRAL
Molecular Formula C15H10N2O2
Molecular Weight 250.2521
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of BENZENE, 1,1'-(1,2-ETHANEDIYL)BIS(3-ISOCYANATO-

SMILES

O=C=NC1=CC=CC(CC2=CC=CC(=C2)N=C=O)=C1

InChI

InChIKey=MQHHVUSURHEZLQ-UHFFFAOYSA-N
InChI=1S/C15H10N2O2/c18-10-16-14-5-1-3-12(8-14)7-13-4-2-6-15(9-13)17-11-19/h1-6,8-9H,7H2

HIDE SMILES / InChI

Molecular Formula C15H10N2O2
Molecular Weight 250.2521
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Phthalate esters reveal skin-sensitizing activity of phenethyl isothiocyanate in mice.
2010-06
Comparative analysis of pulmonary irritation by measurements of Penh and protein in bronchoalveolar lavage fluid in brown Norway rats and Wistar rats exposed to irritant aerosols.
2004-03
Short-term inhalation toxicity of polyisocyanate aerosols in rats: comparative assessment of irritant-threshold concentrations by bronchoalveolar lavage.
2002-03
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:01:01 GMT 2025
Edited
by admin
on Mon Mar 31 22:01:01 GMT 2025
Record UNII
P9167Y5B6W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENE, 1,1'-(1,2-ETHANEDIYL)BIS(3-ISOCYANATO-
Preferred Name English
Code System Code Type Description
FDA UNII
P9167Y5B6W
Created by admin on Mon Mar 31 22:01:01 GMT 2025 , Edited by admin on Mon Mar 31 22:01:01 GMT 2025
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PUBCHEM
175852
Created by admin on Mon Mar 31 22:01:01 GMT 2025 , Edited by admin on Mon Mar 31 22:01:01 GMT 2025
PRIMARY
CAS
71866-00-7
Created by admin on Mon Mar 31 22:01:01 GMT 2025 , Edited by admin on Mon Mar 31 22:01:01 GMT 2025
PRIMARY