CAS 91-97-4 4,4'-Diisocyanato-3,3'-dimethylbiphenyl

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4,4'-Diisocyanato-3,3'-dimethylbiphenyl

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Catalog Number

ACM91974-1

CAS Number

91-97-4

Product Name

4,4'-Diisocyanato-3,3'-dimethylbiphenyl

Structure

Category

Monomers; Polymers

Description

PelletsLargeCrystals

IUPAC Name

1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene

Molecular Weight

264.28g/mol

Molecular Formula

C16H12N2O2

Canonical SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O

InChI

InChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3

InChI Key

ICLCCFKUSALICQ-UHFFFAOYSA-N

Melting Point

71.0 °C

Complexity

384

Covalently-Bonded Unit Count

EC Number

202-112-7

Exact Mass

264.089878g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

264.089878g/mol

NSC Number

9599

Rotatable Bond Count

UNII

9L950NB0HN

UN Number

2206

XLogP3

5.9

MSDS

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COA

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Spec Sheet

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