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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 Mass:
267.16 g/mol
Names and Synonyms:
4,4'-Methylenebis(2-Chloroaniline)
Benzenamine, 4,4′-methylenebis[2-chloro-
Aniline, 4,4′-methylenebis[2-chloro-
4,4′-Methylenebis[2-chlorobenzenamine]
MOCA (curing agent)
3,3′-Dichloro-4,4′-diaminodiphenylmethane
Methylenebis(o-chloroaniline)
Bis(3-chloro-4-aminophenyl)methane
Methylenebis(3-chloro-4-aminobenzene)
4,4′-Methylenebis[2-chloroaniline]
Quodorole
Bis(4-amino-3-chlorophenyl)methane
Diamet Kh
MOCA
Millionate M
4,4′-Methylenebis[o-chloroaniline]
Cuamine MT
MBOCA
Bisamine S
Curene 442
4,4′-Methylenebis(2-chloraniline)
Diamet X
Cuamine M
SL 4037
CPP 100
Bisamine A
2,2′-Dichloro-4,4′-methylenedianiline
NSC 52954
Ihara Cuamine MT
Methylenebis(chloraniline)
Kuralon
Pandex E
Pandex M 3202
Isocross SM
HR 100 (amine)
HR 100
DKh
Vibracure A 133
Vibracure 133
Curalon M
Cuamine K
[4-(4-Amino-3-chlorobenzyl)-2-chlorophenyl]amine
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
Key Properties
Boiling Point
378.9 °C
CAS Common Chemistry
Melting Point
110 °C
CAS Common Chemistry
Density
1.44 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.16 g/mol | CAS Common Chemistry |
| 267.159 g/mol | RDKit | |
| 266.037753744 g/mol | RDKit | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.44 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4,4%27-Methylenebis(2-chloroaniline) | CAS Common Chemistry |
| Boiling Point | 378.9 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC(=CC=C1N)CC2=CC=C(N)C(Cl)=C2 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=IBOFVQJTBBUKMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110 °C | CAS Common Chemistry |
| Name | 3,3′-Dichloro-4,4′-diaminodiphenylmethane | CAS Common Chemistry |
| 4,4'-Methylenebis(2-chloroaniline) | CAS Common Chemistry | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 3.7486000000000015 | RDKit |
| Molar Refractivity | 74.53480000000002 | RDKit |
