CAS
94166-79-7 Purity
96%
94166-79-7 Purity
96%
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5-(o-Isocyanatobenzyl)-2-methyl-m-phenylene diisocyanate
CAS
94166-83-3
Catalog Number
ACM94166833
Category
Other Products
Molecular Weight
305.287540 [g/mol]
Molecular Formula
C17H11N3O3
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Specification
Synonyms
EINECS 303-381-4, 5-(o-Isocyanatobenzyl)-2-methyl-m-phenylene diisocyanate, 94166-83-3
IUPAC Name
1,3-diisocyanato-5-[(2-isocyanatophenyl)methyl]-2-methylbenzene
InChI Key
GMRNPNMSFIZWBC-UHFFFAOYSA-N
Boiling Point
455.2ºC at 760mmHg
Flash Point
187.7ºC
Density
1.2g/cm³
Exact Mass
305.08000
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of 5-(o-Isocyanatobenzyl)-2-methyl-m-phenylene diisocyanate?
The molecular formula is C17H11N3O3.
When was the compound created and modified on PubChem?
It was created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 1,3-diisocyanato-5-[(2-isocyanatophenyl)methyl]-2-methylbenzene.
What is the InChI for the compound?
The InChI is InChI=1S/C17H11N3O3/c1-12-16(19-10-22)7-13(8-17(12)20-11-23)6-14-4-2-3-5-15(14)18-9-21/h2-5,7-8H,6H2,1H3.
What is the InChIKey for the compound?
The InChIKey is GMRNPNMSFIZWBC-UHFFFAOYSA-N.
What is the Canonical SMILES for the compound?
The Canonical SMILES is CC1=C(C=C(C=C1N=C=O)CC2=CC=CC=C2N=C=O).
What is the CAS number for the compound?
The CAS number is 94166-83-3.
What is the molecular weight of the compound?
The molecular weight is 305.29 g/mol.
How many hydrogen bond acceptors does the compound have?
The compound has 6 hydrogen bond acceptors.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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CAS
94166-84-4 Purity
96%
94166-84-4 Purity
96%
