1-Chloromethyl-2,4-diisocyanatobenzene

CAS

51979-57-8

Catalog Number

ACM51979578

Category

Polymer/Macromolecule

Molecular Weight

208.6

Molecular Formula

C₉H₅ClN₂O₂

MSDS COA Spec Sheet

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Specification

Synonyms

1-CHLOROMETHYL-2,4-DIISOCYANATOBENZENE;1-CHLOROMETHYL-2,4-DIISOCYANATOBENZENE 97%;1-Chloromethyl-2,4-diisocyanatobenzene,98%;1-Chloromethyl-2,4-diisocyanatobenzene,97%;4-Chloromethyl-1,3-phenylene diisocyanate, 97%

IUPAC Name

1-(chloromethyl)-2,4-diisocyanatobenzene

Canonical SMILES

C1=CC(=C(C=C1N=C=O)N=C=O)CCl

InChI Key

LCJLEYPRGLFMGM-UHFFFAOYSA-N

Boiling Point

152-155ºC11 mm Hg(lit.)

Flash Point

>230 °F

Density

1.362 g/mL at 25ºC(lit.)

Exact Mass

208.00400

Hazard Statements

H-Bond Acceptor

H-Bond Donor

Packing Group

III

Safety Description

7-26-27-37/39

What is the molecular formula of 1-Chloromethyl-2,4-diisocyanatobenzene?

The molecular formula of 1-Chloromethyl-2,4-diisocyanatobenzene is C9H5ClN2O2.

What is the molecular weight of 1-Chloromethyl-2,4-diisocyanatobenzene?

The molecular weight of 1-Chloromethyl-2,4-diisocyanatobenzene is 208.60 g/mol.

What is the IUPAC name of 1-Chloromethyl-2,4-diisocyanatobenzene?

The IUPAC name of 1-Chloromethyl-2,4-diisocyanatobenzene is 1-(chloromethyl)-2,4-diisocyanatobenzene.

What is the InChI of 1-Chloromethyl-2,4-diisocyanatobenzene?

The InChI of 1-Chloromethyl-2,4-diisocyanatobenzene is InChI=1S/C9H5ClN2O2/c10-4-7-1-2-8(11-5-13)3-9(7)12-6-14/h1-3H,4H2.

What is the InChIKey of 1-Chloromethyl-2,4-diisocyanatobenzene?

The InChIKey of 1-Chloromethyl-2,4-diisocyanatobenzene is LCJLEYPRGLFMGM-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Chloromethyl-2,4-diisocyanatobenzene?

The canonical SMILES of 1-Chloromethyl-2,4-diisocyanatobenzene is C1=CC(=C(C=C1N=C=O)N=C=O)CCl.

What is the CAS number of 1-Chloromethyl-2,4-diisocyanatobenzene?

The CAS number of 1-Chloromethyl-2,4-diisocyanatobenzene is 51979-57-8.

What is the European Community (EC) number of 1-Chloromethyl-2,4-diisocyanatobenzene?

The European Community (EC) number of 1-Chloromethyl-2,4-diisocyanatobenzene is 621-516-8.

What is the XLogP3-AA value of 1-Chloromethyl-2,4-diisocyanatobenzene?

The XLogP3-AA value of 1-Chloromethyl-2,4-diisocyanatobenzene is 3.9.

Is 1-Chloromethyl-2,4-diisocyanatobenzene a canonicalized compound?

Yes, 1-Chloromethyl-2,4-diisocyanatobenzene is a canonicalized compound.