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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 3.7486000000000015 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 74.53480000000002 | RDKit |
