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539-48-0

Basic Information
CAS No.: 539-48-0
Name: 1,4-Bis(aminomethyl)benzene
Article Data: 47
Molecular Structure:
Molecular Structure of 539-48-0 (1,4-Bis(aminomethyl)benzene)
Formula: C8H12 N2
Molecular Weight: 136.197
Synonyms: p-Xylene-a,a'-diamine (6CI,7CI,8CI); 1,4-Bis(aminomethyl)benzene;1,4-Xylylenediamine; 4-Aminomethylbenzylamine; Euredur 14; Shoamine P; p-Aminomethylbenzylamine;p-Bis(aminomethyl)benzene; p-Phenylenedi(methylamine); p-Xylylenediamine; a,a'-Diamino-p-xylene
EINECS: 208-719-3
Density: 1.052g/cm3
Melting Point: 60-63 ºC
Boiling Point: 230 ºC (10 mmHg)
Flash Point: 131.8°C
Solubility: Soluble in water.
Hazard Symbols:
Risk Codes: R34   
Safety: A severe skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx. See also AMINES.
Transport Information: UN 3259
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Chemistry

Product Name: p-Phenylenebis(methylamine) (CAS NO.539-48-0)


Molecular Formula: C8H12N2
Molecular Weight: 136.19g/mol
Mol File: 539-48-0.mol
Einecs: 208-719-3
Melting Point: 60-63 °C(lit.)
Boiling point: 261.9 °C at 760 mmHg
Flash Point: 131.8 °C
Density: 1.052 g/cm3
Surface Tension: 47 dyne/cm
Enthalpy of Vaporization: 49.97 kJ/mol
Vapour Pressure: 0.0112 mmHg at 25°C
XLogP3-AA: -0.4
H-Bond Donor: 2
H-Bond Acceptor: 2
Structure Descriptors of p-Phenylenebis(methylamine) (CAS NO.539-48-0):
  IUPAC Name: [4-(aminomethyl)phenyl]methanamine
  Canonical SMILES: C1=CC(=CC=C1CN)CN
  InChI: InChI=1S/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2 
  InChIKey: ISKQADXMHQSTHK-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 750 µg/24H SEV

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,448.
2.    

eye-rbt 50 µg/24H SEV

    28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,64.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A severe skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx. See also AMINES.
Safety Information of p-Phenylenebis(methylamine) (CAS NO.539-48-0):
Hazard Codes: CCorrosive
Risk Statements: 34 
34:  Causes burns 
Safety Statements: 26-36/37/39-45
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing  
37:  Wear suitable gloves 
39:  Wear eye/face protection 
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 

Specification

 p-Phenylenebis(methylamine) ,its CAS NO. is 539-48-0,the synonyms is Methylamine, p-phenylenebis- ; 1,4-Bis(aminomethyl)benzene ; 1,4-Bis-aminomethylbenzen ; 1,4-Xylenediamine ; 1,4-Xylylenediamine ; 4-13-00-00296 (Beilstein Handbook Reference) ; 4-Aminomethylbenzylamine ; BRN 2206190 ; CCRIS 6170 ; EINECS 208-719-3 ; p-Phenylenebis(methylamine) ; p-Xylene-alpha,alpha'-diamine ; p-Xylylendiamine .