m-Xylylene diisocyanate

Inquiry

Molecular Formula:

C10H8N2O2

Molecular Weight:

188.18

CAS Number:

3634-83-1

Catalog Number:

3634-83-1

Product Information

Molecular Formula:

C10H8N2O2

Molecular Weight:

188.18

Description

m-Xylylene diisocyanate (CAS# 3634-83-1) is a useful research chemical.

Synonyms

1,3-bis(isocyanatomethyl)benzene

IUPAC Name

1,3-bis(isocyanatomethyl)benzene

Canonical SMILES

C1=CC(=CC(=C1)CN=C=O)CN=C=O

InChI

InChI=1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2

InChI Key

RTTZISZSHSCFRH-UHFFFAOYSA-N

Boiling Point

88-90 °C / 0.02 mmHg

Melting Point

-7 °C

Flash Point

42 °C (C.C)

Purity

> 98.0 % (GC)

Density

1.202 g/cm³

Appearance

Colorless to light yellow clear liquid

Storage

0-10 °C

Refractive Index

1.5410-1.5450

LogP

1.35820

Safety Information

Hazards

H226 H314 H334

Precautionary Statement

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P284, P285, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P307+P311, P310, P311, P312, P314, P320, P321, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501

Signal Word

Danger

Computed Properties

XLogP3

3.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

188.058577502 g/mol

Monoisotopic Mass

188.058577502 g/mol

Topological Polar Surface Area

58.9Å²

Heavy Atom Count

Formal Charge

Complexity

239

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
JP-2022040328-A	Adhesive composition, adhesive film, surface protective film and optical film with adhesive layer	2022-01-19
JP-2022033257-A	Adhesive composition, adhesive film and surface protective film	2022-01-04
CN-114163816-A	Wear-resistant reinforced PPS composition and preparation method and application thereof	2021-12-31
JP-2022036177-A	Polyester film and gas barrier laminated film	2021-12-28
JP-2022033203-A	Surface protection film	2021-12-21
JP-2022033204-A	Surface protection film	2021-12-21
JP-2022040149-A	Adhesive composition and laminated film using it	2021-12-21
CN-114031742-A	Biodegradable melt-spun spandex slice and preparation method and application thereof	2021-12-15
CN-113999336-A	Star cis-1, 4-polyisoprene with high green strength and preparation method thereof	2021-12-08
JP-2022022342-A	Surface protection film	2021-12-07

Literatures

PMID	Publication Date	Title	Journal
17566329	2007-05-01	Preparation and chiral recognition ability of crosslinked beads of polysaccharide derivatives	Journal of separation science

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)