CAS No.71605-72-6,2,1,3-Benzothiadiazole-5-carbaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71605-72-6
Name:	2,1,3-Benzothiadiazole-5-carbaldehyde
Article Data:	9

Formula:	C₇H₄N₂OS
Molecular Weight:	164.188
Synonyms:	2,1,3-Benzothiadiazole-5-acetaldehyde;5-Formyl-2,1,3-benzothiadiazole;
Density:	1.477 g/cm³
Melting Point:	90 °C
Boiling Point:	291.9 °C at 760 mmHg
Flash Point:	130.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39-24/25
PSA:	71.09000
LogP:	1.50380

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Specification

The systematic name about this chemical is 2,1,3-Benzothiadiazole-5-carbaldehyde. The CAS register number of 2,1,3-Benzothiadiazole-5-carbaldehyde is 71605-72-6. It also can be called as Benzo[1,2,5]thiadiazole-5-carbaldehyde.

Physical properties about 2,1,3-Benzothiadiazole-5-carbaldehyde are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 6.84; (6)ACD/BCF (pH 7.4): 6.84; (7)ACD/KOC (pH 5.5): 137.88; (8)ACD/KOC (pH 7.4): 137.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.09Å²; (13)Index of Refraction: 1.752; (14)Molar Refractivity: 45.41 cm³; (15)Molar Volume: 111.1 cm³; (16)Surface Tension: 75.5 dyne/cm; (17)Density: 1.477 g/cm³; (18)Flash Point: 130.3 °C; (19)Enthalpy of Vaporization: 53.13 kJ/mol; (20)Boiling Point: 291.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0019 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection and avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
1.SMILES: O=Cc1ccc2nsnc2c1
2.InChI: InChI=1/C7H4N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H
3.InChIKey: GEFIFDVQYCPLHC-UHFFFAOYAM
4.Std. InChI: InChI=1S/C7H4N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H