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N,N-Dimethyl-1,4-phenylenediamine oxalate

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Name

N,N-Dimethyl-1,4-phenylenediamine oxalate

EINECS 263-723-2
CAS No. 62778-12-5 Density 1.2485 (rough estimate)
PSA 178.46000 LogP 0.22720
Solubility N/A Melting Point 200 ºC
Formula 2(C8H12N2).C2H2O4 Boiling Point 262°C at 760 mmHg
Molecular Weight 362.42 Flash Point 88.6°C
Transport Information UN 2811 Appearance grey or beige to brownish powder and chunks
Safety Risk Codes R23/24/25;R36/37/38   
Molecular Structure Molecular Structure of 62778-12-5 (N,N-Dimethyl-1,4-phenylenediamine oxalate) Hazard Symbols
Synonyms

N,N-Dimethyl-p-phenylenediamine hemioxalate salt

 

N,N-Dimethyl-1,4-phenylenediamine oxalate Chemical Properties

Molecule structure of N,N-Dimethyl-1,4-phenylenediamine oxalate (CAS NO.62778-12-5):

IUPAC Name: 4-N,4-N-Dimethylbenzene-1,4-diamine; oxalic acid 
Molecular Weight: 362.42344 [g/mol]
Molecular Formula: C18H26N4O4 
Flash Point: 88.6 °C
Enthalpy of Vaporization: 49.98 kJ/mol
Boiling Point: 262 °C at 760 mmHg
Vapour Pressure: 0.0112 mmHg at 25 °C 
H-Bond Donor: 4
H-Bond Acceptor: 8
Rotatable Bond Count: 3
Exact Mass: 362.195405
MonoIsotopic Mass: 362.195405
Topological Polar Surface Area: 133
Heavy Atom Count: 26
Canonical SMILES: CN(C)C1=CC=C(C=C1)N.CN(C)C1=CC=C(C=C1)N.C(=O)(C(=O)O)O
InChI: InChI=1S/2C8H12N2.C2H2O4/c2*1-10(2)8-5-3-7(9)4-6-8;3-1(4)2(5)6/h2*3-6H,9H2,1-2H3;(H,3,4)(H,5,6)
InChIKey: MNUINXKPLPIOEF-UHFFFAOYSA-N
EINECS: 263-723-2

N,N-Dimethyl-1,4-phenylenediamine oxalate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 25mg/kg (25mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES
National Technical Information Service. Vol. OTS0540932,
rat LDLo oral 50mg/kg (50mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0540932,

N,N-Dimethyl-1,4-phenylenediamine oxalate Safety Profile

Hazard Codes: VeryT+, ToxicT
Risk Statements: 20/21-28-36/37/38-43-23/24/25 
R20/21:Harmful by inhalation and in contact with skin. 
R28:Very toxic if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R43:May cause sensitization by skin contact. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 2
WGK Germany: 3
RTECS: CZ1586550
HazardClass: 6.1(a)
PackingGroup: II

N,N-Dimethyl-1,4-phenylenediamine oxalate Specification

 N,N-Dimethyl-1,4-phenylenediamine oxalate (CAS NO.62778-12-5) is also named as 1,4-Benzenediamine, N,N-dimethyl-, ethanedioate (2:1) ; 1,4-Benzenediamine, N1,N1-dimethyl-, ethanedioate (2:1) ; Bis((p-aminophenyl)dimethylammonium) oxalate . N,N-Dimethyl-1,4-phenylenediamine oxalate (CAS NO.62778-12-5) is grey or beige to brownish powder and chunks.

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