Products Categories
| CAS No.: | 342411-14-7 |
|---|---|
| Name: | 2,1,3-BENZOTHIADIAZOL-4-YL ISOCYANATE |
| Molecular Structure: | |
|
|
|
| Formula: | C7H3N3OS |
| Molecular Weight: | 177.186 |
| Synonyms: | 4-Isocyanato-2,1,3-benzothiadiazole;4-Isocyanatobenzo[c][1,2,5]thiadiazole; |
| EINECS: | 604-604-1 |
| Density: | 1.55 g/cm3 |
| Melting Point: | 81 °C |
| Boiling Point: | 268.1 °C at 760 mmHg |
| Flash Point: | 115.9 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | Xn:Harmful; ">  Xn:Harmful; |
| Safety: | 26-36/37/39-39 |
| PSA: | 83.45000 |
| LogP: | 1.65860 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- Total:21 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The 2,1,3-Benzothiadiazole,4-isocyanato-, with the CAS registry number 342411-14-7, is also known as 4-Isocyanatobenzo[c][1,2,5]thiadiazole. It belongs to the product category of Isocyanate. This chemical's molecular formula is C7H3N3OS and molecular weight is 177.18. What's more, its systematic name is 4-isocyanato-2,1,3-benzothiadiazole.
Physical properties of 2,1,3-Benzothiadiazole,4-isocyanato- are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/BCF (pH 5.5): 35.59; (5)ACD/KOC (pH 5.5): 448.82; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 83.45 Å2; (10)Index of Refraction: 1.772; (11)Molar Refractivity: 47.52 cm3; (12)Molar Volume: 114 cm3; (13)Polarizability: 18.84×10-24cm3; (14)Surface Tension: 69.5 dyne/cm; (15)Density: 1.55 g/cm3; (16)Flash Point: 115.9 °C; (17)Enthalpy of Vaporization: 50.61 kJ/mol; (18)Boiling Point: 268.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00786 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C=N\c1cccc2nsnc12
(2)InChI: InChI=1S/C7H3N3OS/c11-4-8-5-2-1-3-6-7(5)10-12-9-6/h1-3H
(3)InChIKey: HPZZFYLZFYDNMA-UHFFFAOYSA-N