CAS 101-14-4 4,4'-Methylenebis(2-chloroaniline)

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Monomers

4,4'-Methylenebis(2-chloroaniline)

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Catalog Number

ACM101144

Product Name

4,4'-Methylenebis(2-chloroaniline)

Structure

CAS

101-14-4

Category

Monomers

Description

4,4'-methylenebis(2-chloroaniline) appears as tan-colored pellets or an off-white solid. Slight odor. (NTP, 1992);DryPowder; OtherSolid; PelletsLargeCrystals;COLOURLESS CRYSTALS OR LIGHT BROWN PELLETS.;Tan-colored pellets or flakes with a faint, amine-like odor.;Tan-colored pellets or flakes with a faint, amine-like odor.

IUPAC Name

4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline

Molecular Weight

267.15g/mol

Molecular Formula

C13H12Cl2N2;C13H12Cl2N2

Canonical SMILES

C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N

InChI

InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2

InChI Key

IBOFVQJTBBUKMU-UHFFFAOYSA-N

Boiling Point

378.9 °C

Melting Point

210 to 225 °F (NTP, 1992);110.0 °C;110 °C;110 °C;210-225°F;230°F

Flash Point

113 °C c.c.

Density

1.44 (NTP, 1992);1.44;1.44 g/cm³;1.44;1.44

Solubility

less than 1 mg/mL at 77° F (NTP, 1992);5.20e-05 M;Soluble in hot methyl ethyl ketone, acetone, esters, and aromatic hydrocarbons;Sol in dimethyl sulfoxide, dimethyl formamide;Solubl in dilulte acids, ether, alcohol;Soluble in carbon tetrachloride;Slightly soluble in water; sol in oxygenated solvents;Solubility in water: none;Slight

Color/Form

Tan colored pellets;Light-brown flakes;Flakes from alcohol;Tan solid

Complexity

226

Covalently-Bonded Unit Count

EC Number

202-918-9

Exact Mass

266.037754g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0508

Log P

3.91 (LogP);log Kow = 3.91;3.94

MeSH Entry Terms

3,3'-Dichloro-4,4'-Diaminodiphenylmethane;4,4'-Methylenebis(2-chloroaniline);MBOCA;Methylene Bis(chloroaniline);Methylenebis(chloroaniline)

Monoisotopic Mass

266.037754g/mol

NSC Number

52954

Odor

Faint, amine-like odor

Other Experimental

VP: 1.3X10-3 torr at 60 °C;Has general characteristics of primary aromatic amines.;When heated to decomposition it emits very toxic fumes of /chlorine and oxides of nitrogen/.;Henry's Law constant = 1.1X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 7.75X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

CY1050000

UNII

3L2W5VTT2A

UN Number

3077;3077

Vapor Density

Vapor Pressure

5e-05 mm Hg at 248 °F ; 0.0013 mm Hg at 140° F (NTP, 1992);3.9X10-6 mm Hg at 25 °C (est);negligible;0.00001 mmHg at 77°F;(77°F): 0.00001 mmHg

XLogP3

3.8