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1,3-Phenylenediamine sulfate

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Name

1,3-Phenylenediamine sulfate

EINECS 208-791-6
CAS No. 541-70-8 Density N/A
PSA 135.02000 LogP 2.44140
Solubility Soluble in water Melting Point N/A
Formula C6H8N2.H2SO4 Boiling Point 283.2 °C at 760 mmHg
Molecular Weight 206.22 Flash Point 147.6 °C
Transport Information UN 2811 Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 541-70-8 (1,3-Phenylenediamine sulfate) Hazard Symbols N/A
Synonyms

Benzene-1,3-diammonium sulphate;m-Phenylenediamine, sulfate (1:1);m-Phenylenediamine sulfate;benzene-1,3-diamine; sulfuric acid;1,3-Benzenediamine, sulfate (1:1);m-Phenylendiamine sulfate;m-Phenylenediamine disulfate;m-Phenylenediamine (MPD);

 

1,3-Phenylenediamine sulfate Specification

The 1,3-Phenylenediamine sulfate with cas registry number of 541-70-8 belongs to categories of Intermediates of Dyes and Pigments; Organic Chemicals. Its EINECS registry number is 208-791-6. This chemical is also known as m-Phenylenediamine sulfate (1:1). Its systematic name is named as benzene-1,3-diamine sulfate (1:1). And its IUPAC name is named as benzene-1,3-diamine; sulfuric acid.

Physical properties about this chemical are: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4 ; (4) ACD/LogD (pH 7.4): -0.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.08; (8)ACD/KOC (pH 7.4): 16.19; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Flash Point: 147.6 °C; (14)Enthalpy of Vaporization: 52.21 kJ/mol; (15)Boiling Point: 283.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00321 mmHg at 25°C.

Uses of 1,3-Phenylenediamine sulfate: It can be used as intermediates in organic synthesis and for producing dye. Besides, it also can be used for detecting of bromate, bromide chromic acid, copper dichromate, gold, HOBr, iron, oxygen, ozone, and platinum.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.Nc1cccc(N)c1;
(2)InChI: InChI=1/C6H8N2.H2O4S/c7-5-2-1-3-6(8)4-5;1-5(2,3)4/h1-4H,7-8H2;(H2,1,2,3,4);
(3)InChIKey: LDXYDHGRKFMULJ-UHFFFAOYAM

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