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4,4'-Methylenebis(2-Chloroaniline)

CAS: 101-14-4 | C13H12Cl2N2

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 101-14-4
Molecular Formula: C13H12Cl2N2
Molecular Weight: 267.159 g/mol

Names and Synonyms:

4,4'-Methylenebis(2-Chloroaniline)
Curalon M
DKh
HR 100
Ihara Cuamine MT
Bisamine A
CPP 100
Cuamine M
Bisamine S
MBOCA
Millionate M
Methylenebis(3-chloro-4-aminobenzene)
3,3′-Dichloro-4,4′-diaminodiphenylmethane
MOCA (curing agent)
[4-(4-Amino-3-chlorobenzyl)-2-chlorophenyl]amine
HR 100 (amine)
Pandex E
NSC 52954
2,2′-Dichloro-4,4′-methylenedianiline
SL 4037
MOCA
Bis(3-chloro-4-aminophenyl)methane
4,4′-Methylenebis[2-chlorobenzenamine]
Aniline, 4,4′-methylenebis[2-chloro-
Cuamine K
Methylenebis(chloraniline)
4,4′-Methylenebis(2-chloraniline)
Cuamine MT
Diamet Kh
Bis(4-amino-3-chlorophenyl)methane
Quodorole
Methylenebis(o-chloroaniline)
Benzenamine, 4,4′-methylenebis[2-chloro-
Vibracure 133
Vibracure A 133
Isocross SM
Pandex M 3202
Kuralon
Diamet X
Curene 442
4,4′-Methylenebis[o-chloroaniline]
4,4′-Methylenebis[2-chloroaniline]

Identifiers:

SMILES:
Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl
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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 267.159 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 266.037753744 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 17 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 2 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 52.04 Ų RDKit

Physical Properties

Property Value Source
LogP 3.7486000000000015 RDKit
molecular_mass 267.16 g/mol Legacy Database
density 1.44 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/4,4%27-Methylenebis(2-chloroaniline) None Legacy Database
cas-boiling-point 378.9 °C None Legacy Database
cas-canonical-smile ClC1=CC(=CC=C1N)CC2=CC=C(N)C(Cl)=C2 None Legacy Database
cas-density 1.44 g/cm3 None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=IBOFVQJTBBUKMU-UHFFFAOYSA-N None Legacy Database
cas-melting-point 110 °C None Legacy Database
cas-name 3,3′-Dichloro-4,4′-diaminodiphenylmethane None Legacy Database
wikipedia-name 4,4'-Methylenebis(2-chloroaniline) None Legacy Database

Molar

Property Value Source
Molar Refractivity 74.53480000000002 RDKit

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