CAS No.30931-67-0,Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate) Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	30931-67-0
Name:	Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate)

Formula:	C₁₈H₁₆N₄O₆S₄^.2(NH₄)
Molecular Weight:	548.689
Synonyms:	6-Benzothiazolesulfonicacid, 2,2'-azinobis[3-ethyl-2,3-dihydro-, diammonium salt (9CI);6-Benzothiazolinesulfonic acid, 3-ethyl-2-oxo-, azine, diammonium salt (8CI);2,2'-Azino-bis-(3-ethyl-benzthiazoline-6-sulfonate) diammonium salt;2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt;ABTSdiammonium salt;
EINECS:	250-396-6
Boiling Point:	881.2 °C at 760 mmHg
Flash Point:	486.7 °C
Solubility:	50 mg/mL in water
Appearance:	Light green powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	223.04000
LogP:	5.47820

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Specification

The Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate) with the CAS number 30931-67-0 is also called 6-Benzothiazolesulfonicacid, 2,2'-(1,2-hydrazinediylidene)bis[3-ethyl-2,3-dihydro-, ammonium salt(1:2). The IUPAC name is diazanium(2Z)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate. Its EINECS registry number is 250-396-6. The molecular formula is C₁₈H₁₆N₄O₆S₄^.2(NH₄). This chemical belongs to the following product categories: (1)Biochemistry; (2)Enzyme; (3)Substrates. It should be stored at RT.

The properties of the chemical are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 207.3 Å²; (13)Enthalpy of Vaporization: 134.17 kJ/mol; (14)Vapour Pressure: 2.97×10^-33 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)c1ccc2N(C(\Sc2c1)=N\N=C4/Sc3cc(ccc3N4CC)S([O-])(=O)=O)CC.[NH4+].[NH4+]
(2)InChI: InChI=1/C18H18N4O6S4.2H3N/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18;;/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28);2*1H3/b19-17-,20-18-;;
(3)InChIKey: OHDRQQURAXLVGJ-AXMZSLBLBT