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N,N-Dimethyl-1,4-phenylenediamine sulfate

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Name

N,N-Dimethyl-1,4-phenylenediamine sulfate

EINECS 208-636-2
CAS No. 536-47-0 Density 0.94g/cm3
PSA 112.24000 LogP 2.34400
Solubility Soluble in water. Melting Point 200-205 °C
Formula C8H14N2O4S Boiling Point 262 °C at 760 mmHg
Molecular Weight 234.276 Flash Point 88.6 °C
Transport Information N/A Appearance beige-greyish to orange or brown powder
Safety 26-36/37/39-45 Risk Codes 23/24/25-36/37/38
Molecular Structure Molecular Structure of 536-47-0 (N N-DIMETHYL-1 4-PHENYLENEDIAMINE SULFA&) Hazard Symbols ToxicT
Synonyms

N,N-dimethylbenzene-1,4-diamine sulfate (1:1);

 

N,N-Dimethyl-1,4-phenylenediamine sulfate 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

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