CAS No.5170-68-3,2,1,3-BENZOTHIADIAZOLE-4-CARBALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5170-68-3
Name:	2,1,3-BENZOTHIADIAZOLE-4-CARBALDEHYDE
Article Data:	5

Formula:	C₇H₄N₂OS
Molecular Weight:	164.188
Synonyms:	2,1,3-Benzothiadiazole-4-aldehyde;4-Formyl-2,1,3-benzothiadiazole;2,1,3-Benzothiadiazole-4-carbaldehyde ,97%;;
Density:	1.477 g/cm³
Melting Point:	99 °C
Boiling Point:	291.9 °C at 760 mmHg
Flash Point:	130.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	71.09000
LogP:	1.50380

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- China (Mainland)(31)
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Specification

The CAS register number of 2,1,3-Benzothiadiazole-4-carboxaldehyde is 5170-68-3. It also can be called as 2,1,3-Benzothiadiazole-4-aldehyde. The molecular formula about this chemical is C₇H₄N₂OS and the molecular weight is 164.18.

Physical properties about 2,1,3-Benzothiadiazole-4-carboxaldehyde are: (1)ACD/LogP: 1.40; (2)ACD/LogD (pH 5.5): 1.4; (3)ACD/LogD (pH 7.4): 1.4; (4)ACD/BCF (pH 5.5): 6.84; (5)ACD/BCF (pH 7.4): 6.84; (6)ACD/KOC (pH 5.5): 137.88; (7)ACD/KOC (pH 7.4): 137.88; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 71.09 Å²; (11)Index of Refraction: 1.752; (12)Molar Refractivity: 45.41 cm³; (13)Molar Volume: 111.1 cm³; (14)Polarizability: 18x10^-24cm³; (15)Surface Tension: 75.5 dyne/cm; (16)Density: 1.477 g/cm³; (17)Flash Point: 130.3 °C; (18)Enthalpy of Vaporization: 53.13 kJ/mol; (19)Boiling Point: 291.9 °C at 760 mmHg; (20)Vapour Pressure: 0.0019 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cccc2nsnc12
(2)InChI: InChI=1/C7H4N2OS/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-4H
(3)InChIKey: ANVJARPTPIVPRC-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H4N2OS/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-4H
(5)Std. InChIKey: ANVJARPTPIVPRC-UHFFFAOYSA-N