Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Benzotriazole-1-carbonyl chloride |
EINECS | N/A |
CAS No. | 65095-13-8 | Density | 1.57 g/cm3 |
PSA | 47.78000 | LogP | 1.63820 |
Solubility | N/A | Melting Point |
51-55 °C(lit.) |
Formula | C7H4ClN3O | Boiling Point | 335.9°C at 760 mmHg |
Molecular Weight | 181.581 | Flash Point | >230 °F |
Transport Information | UN 3131 | Appearance | N/A |
Safety | 26-36/37/39-45 | Risk Codes | 22-34 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
1H-Benzotriazole-1-carbonyl chloride (9CI); |
Article Data | 10 |
This chemical has the systematic name 1H-Benzotriazole-1-carbonyl chloride. With the CAS registry number 65095-13-8, it is also known as 1H-1,2,3-benzotriazole-1-carbonyl chloride. Its molecular formula is C7H4ClN3O and its molecular weight is 181.57916. Additionally, its product categories are Acidhalide; C-C Bond Formation; Others; Synthetic Reagents. However, this chemical should be sealed in the cool and dry place.
Other characteristics of the 1H-Benzotriazole-1-carbonyl chloride can be summarised as followings: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 47.78 Å2; (7)Index of Refraction: 1.716; (8)Molar Refractivity: 45.22 cm3; (9)Molar Volume: 114.9 cm3; (10)Polarizability: 17.92×10-24cm3; (11)Surface Tension: 62.4 dyne/cm; (12)Density: 1.57 g/cm3; (13)Flash Point: 157 °C; (14)Enthalpy of Vaporization: 57.9 kJ/mol; (15)Boiling Point: 335.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000116 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed and it causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: ClC(=O)n1nnc2ccccc12
2.InChI: InChI=1/C7H4ClN3O/c8-7(12)11-6-4-2-1-3-5(6)9-10-11/h1-4H
3.InChIKey: AHZRGSIAWPDNOS-UHFFFAOYAB