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Basic Information
CAS No.: 4100-13-4
Name: 1,2,3-Thiadiazole-4-carboxylic acid
Article Data: 5
Molecular Structure:
Molecular Structure of 4100-13-4 (1,2,3-Thiadiazole-4-carboxylic acid)
Formula: C3H2N2O2S
Molecular Weight: 130.127
Synonyms: NSC 521674;
Density: 1.67 g/cm3
Melting Point: 224 °C
Boiling Point: 322.3 °C at 760 mmHg
Flash Point: 148.7 °C
Solubility: Slightly soluble in water.
Appearance: yellow solid.
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 91.32000
LogP: 0.23630
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  • 1,2,3-Thiadiazole-4-carboxylicacid4100-13-4

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  • 1,2,3-Thiadiazole-4-carboxylic acid

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Chemistry

 1,2,3-Thiadiazole-4-carboxylic acid (4100-13-4) is called for Buttpark 30\06-44 ; 4-Carboxy-1,2,3-thiadiazole ; Rarechem AL BE 0508 ; BB_SC-4188 ; CID351418 ; AE-842/30373016 ,and so on.

IUPAC Name: Thiadiazole-4-carboxylic acid
CAS: 4100-13-4
Molecular Formula: C3H2N2O2S
Molecular Weight: 130.13
Molecular structure:
Melting point:  224 °C
BRN:  113707
ACD/BCF (pH 5.5): 1 
ACD/BCF (pH 7.4): 1 
ACD/KOC (pH 5.5): 1 
ACD/KOC (pH 7.4): 1 
H bond acceptors: 4 
H bond donors: 1 
Freely Rotating Bonds: 1 
Index of Refraction: 1.631 
Molar Refractivity: 27.74 cm3 
Molar Volume: 77.8 cm3 
Polarizability: 11 10-24cm3 
Surface Tension: 91.4 dyne/cm 
Density: 1.67 g/cm3 
Flash Point: 148.7 °C 
Enthalpy of Vaporization: 59.55 kJ/mol 
Boiling Point: 322.3 °C at 760 mmHg 
Vapour Pressure: 0.000117 mmHg at 25°C 

Uses

 1,2,3-Thiadiazole-4-carboxylic acid (4100-13-4) is commonly used as pharmaceutical intermediate and fine chemical material.

Safety Profile

Hazard Codes:  Xi
Risk Statements:  36/37/38 (36/37/38:  Irritating to eyes, respiratory system and skin)
Safety Statements:  26-36/37/39 (26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36/37/39:  Wear suitable protective clothing, gloves and eye/face protection)
Hazard Note:  Irritant

Specification

Removal in wastewater treatment of 1,2,3-Thiadiazole-4-carboxylic acid (4100-13-4) can be stated as follows:
Total removal:1.85  percent
Total biodegradation:0.09  percent
Total sludge adsorption:1.76  percent
Total to Air:0.00  percent
(using 10000 hr Bio P,A,S)