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Details

Stereochemistry ACHIRAL
Molecular Formula C31H20N4O4
Molecular Weight 512.5149
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-Methylenebis(6-(o-isocyanatobenzyl)phenyl) diisocyanate

SMILES

O=C=NC1=CC=CC=C1CC2=C(N=C=O)C(CC3=CC=CC(CC4=CC=CC=C4N=C=O)=C3N=C=O)=CC=C2

InChI

InChIKey=BYABUGFHWIOBQQ-UHFFFAOYSA-N
InChI=1S/C31H20N4O4/c36-18-32-28-13-3-1-7-22(28)15-24-9-5-11-26(30(24)34-20-38)17-27-12-6-10-25(31(27)35-21-39)16-23-8-2-4-14-29(23)33-19-37/h1-14H,15-17H2

HIDE SMILES / InChI

Molecular Formula C31H20N4O4
Molecular Weight 512.5149
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 4
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:33:58 GMT 2023
Edited
by admin
on Sat Dec 16 12:33:58 GMT 2023
Record UNII
T7L49M42RH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2'-Methylenebis(6-(o-isocyanatobenzyl)phenyl) diisocyanate
Common Name English
Benzene, 1,1′-methylenebis[2-isocyanato-3-[(2-isocyanatophenyl)methyl]-
Systematic Name English
1,1′-Methylenebis[2-isocyanato-3-[(2-isocyanatophenyl)methyl]benzene]
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
286-872-5
Created by admin on Sat Dec 16 12:33:58 GMT 2023 , Edited by admin on Sat Dec 16 12:33:58 GMT 2023
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CAS
85392-14-9
Created by admin on Sat Dec 16 12:33:58 GMT 2023 , Edited by admin on Sat Dec 16 12:33:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID40234589
Created by admin on Sat Dec 16 12:33:58 GMT 2023 , Edited by admin on Sat Dec 16 12:33:58 GMT 2023
PRIMARY
FDA UNII
T7L49M42RH
Created by admin on Sat Dec 16 12:33:58 GMT 2023 , Edited by admin on Sat Dec 16 12:33:58 GMT 2023
PRIMARY
PUBCHEM
163456
Created by admin on Sat Dec 16 12:33:58 GMT 2023 , Edited by admin on Sat Dec 16 12:33:58 GMT 2023
PRIMARY