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13552-44-8

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Basic Information
CAS No.: 13552-44-8
Name: 4,4'-methylenedianilinium dichloride
Article Data: 3
Molecular Structure:
Molecular Structure of 13552-44-8 (4,4'-methylenedianilinium dichloride)
Formula: C13H14 N2 . 2 Cl H
Molecular Weight: 271.189
Synonyms: Aniline,4,4'-methylenedi-, dihydrochloride (8CI);Benzenamine, 4,4'-methylenebis-,dihydrochloride (9CI);4,4'-Diaminodiphenylmethane dihydrochloride;4,4'-Methylenedianiline dihydrochloride;p,p'-Methylenedianilinedihydrochloride;
EINECS: 236-934-2
Density: 1.143g/cm3
Melting Point: 288 °C
Boiling Point: 398°Cat760mmHg
Flash Point: 226.3°C
Safety: Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ANILINE DYES.
PSA: 52.04000
LogP: 5.20820
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  • Benzenamine,4,4'-methylenebis-, hydrochloride (1:2)

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    Benzenamine,4,4'-methylenebis-, hydrochloride (1:2)

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  • 4,4'-METHYLENEDIANILINE 2HCL

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    4,4'-METHYLENEDIANILINE 2HCL

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    4,4'-METHYLENEDIANILINE 2HCLAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

Molecule structure of 4,4'-Methylenedianiline dihydrochloride (CAS NO.13552-44-8) :

IUPAC Name: 4-[(4-aminophenyl)methyl]aniline dihydrochloride 
Molecular Weight: 271.18554 g/mol
Molecular Formula: C13H16Cl2N2
Boiling Point: 398 °C at 760 mmHg 
Flash Point: 226.3 °C
Appreance: light beige fine powder
Water Solubility: water soluble
Enthalpy of Vaporization: 64.85 kJ/mol
Vapour Pressure: 1.52E-06 mmHg at 25 °C
H-Bond Donor: 4
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 270.069054
MonoIsotopic Mass: 270.069054
Topological Polar Surface Area: 52
Heavy Atom Count: 17
Complexity: 157
Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl
InChI: InChI=1S/C13H14N2.2ClH/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;;/h1-8H,9,14-15H2;2*1H
InChIKey: MXNNTNFLRICRPT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mma-sat 1 µg/plate

     SCIEAS    Science. 236 (1987),933.
2.    

msc-mus:lyms 250 mg/L

     EMMUEG    Environmental and Molecular Mutagenesis. 12 (1988),85.

Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 39 ,1986,p. 347.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NTP Carcinogenesis Studies (oral); Clear Evidence: mouse, rat NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-248 ,1983. . Reported in EPA TSCA Inventory.

Safety Profile

Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ANILINE DYES.

Standards and Recommendations

NIOSH REL: (4,4′-Methylenedianiline) TWA reduce to lowest level

Specification

 4,4'-Methylenedianiline dihydrochloride (CAS NO.13552-44-8) is also called 4,4'-Methylenedianilinium dichloride ; Methylenedianiline dihydrochloride ; 4,4'-Methylenebisaniline bishydrochloric acid ; 4,4'-methylenebisbenzenamine dihydrochloride ; 4,4'-Methylenedianiline Dihydrochloride Salt . 4,4'-Methylenedianiline dihydrochloride (CAS NO.13552-44-8) may be sensitive to prolonged exposure to air and light. 4,4'-Methylenedianiline dihydrochloride (CAS NO.13552-44-8) behaves as an acid in aqueous solution . Materials in this group are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions. Flash point data for 4,4'-Methylenedianiline dihydrochloride (CAS NO.13552-44-8) are not available; however, 4,4'-Methylenedianiline dihydrochloride (CAS NO.13552-44-8) is probably combustible.