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Details

Stereochemistry ACHIRAL
Molecular Formula C7H3Cl2NO
Molecular Weight 188.011
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,5-Dichlorophenyl isocyanate

SMILES

ClC1=CC=C(Cl)C(=C1)N=C=O

InChI

InChIKey=PEQMJVGRHNZPAM-UHFFFAOYSA-N
InChI=1S/C7H3Cl2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H

HIDE SMILES / InChI

Molecular Formula C7H3Cl2NO
Molecular Weight 188.011
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:39:43 GMT 2023
Edited
by admin
on Sat Dec 16 12:39:43 GMT 2023
Record UNII
BMH358YGW4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-Dichlorophenyl isocyanate
Systematic Name English
1,4-Dichloro-2-isocyanatobenzene
Systematic Name English
Isocyanic acid, 2,5-dichlorophenyl ester
Systematic Name English
NSC-6302
Code English
Benzene, 1,4-dichloro-2-isocyanato-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID4063826
Created by admin on Sat Dec 16 12:39:43 GMT 2023 , Edited by admin on Sat Dec 16 12:39:43 GMT 2023
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FDA UNII
BMH358YGW4
Created by admin on Sat Dec 16 12:39:43 GMT 2023 , Edited by admin on Sat Dec 16 12:39:43 GMT 2023
PRIMARY
CAS
5392-82-5
Created by admin on Sat Dec 16 12:39:43 GMT 2023 , Edited by admin on Sat Dec 16 12:39:43 GMT 2023
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NSC
6302
Created by admin on Sat Dec 16 12:39:43 GMT 2023 , Edited by admin on Sat Dec 16 12:39:43 GMT 2023
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PUBCHEM
79360
Created by admin on Sat Dec 16 12:39:43 GMT 2023 , Edited by admin on Sat Dec 16 12:39:43 GMT 2023
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ECHA (EC/EINECS)
226-396-7
Created by admin on Sat Dec 16 12:39:43 GMT 2023 , Edited by admin on Sat Dec 16 12:39:43 GMT 2023
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