CAS No.536-47-0,N N-DIMETHYL-1 4-PHENYLENEDIAMINE SULFA& Suppliers

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Basic Information

Molecular Structure:
CAS No.:	536-47-0
Name:	N N-DIMETHYL-1 4-PHENYLENEDIAMINE SULFA&

Formula:	C₈H₁₄N₂O₄S
Molecular Weight:	234.276
Synonyms:	N,N-dimethylbenzene-1,4-diamine sulfate (1:1);
EINECS:	208-636-2
Density:	0.94g/cm3
Melting Point:	200-205 °C
Boiling Point:	262 °C at 760 mmHg
Flash Point:	88.6 °C
Solubility:	Soluble in water.
Appearance:	beige-greyish to orange or brown powder
Hazard Symbols:	T
Risk Codes:	23/24/25-36/37/38
Safety:	26-36/37/39-45
PSA:	112.24000
LogP:	2.34400

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Specification

The N,N-Dimethyl-1,4-phenylenediamine sulfate, with the CAS registry number 536-47-0, is also known as 1,4-Benzenediamine, N,N-dimethyl-, sulfate (1:1). Its EINECS registry number is 208-636-2. This chemical's molecular formula is C₈H₁₄N₂O₄S and molecular weight is 234.27276. What's more, its systematic name is called N,N-Dimethylbenzene-1,4-diamine sulfate (1:1). It is beige-greyish to orange or brown powder.

Physical properties about N,N-Dimethyl-1,4-phenylenediamine sulfate are: (1) ACD/LogP: 0.75; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.18; (4) ACD/LogD (pH 7.4): 0.71; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1.98; (7) ACD/KOC (pH 5.5): 7.17; (8) ACD/KOC (pH 7.4): 55.29; (9) #H bond acceptors: 2; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 6.48 Å²; (13) Flash Point: 88.6 °C; (14) Enthalpy of Vaporization: 49.98 kJ/mol; (15) Boiling Point: 262 °C at 760 mmHg; (16) Vapour Pressure: 0.0112 mmHg at 25 °C; (17) Melting Point: 200-205 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is toxic by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)O.Nc1ccc(N(C)C)cc1
(2) InChI: InChI=1/C8H12N2.H2O4S/c1-10(2)8-5-3-7(9)4-6-8;1-5(2,3)4/h3-6H,9H2,1-2H3;(H2,1,2,3,4)
(3) InChIKey: GLUKPDKNLKRLHX-UHFFFAOYAA