1H-Benzotriazole-1-carbonyl chloride supplier

Name
BENZOTRIAZOLE-1-CARBONYL CHLORIDE TECH.
EINECS
CAS No. 65095-13-8
Article Data10
CAS DataBase
Density 1.57 g/cm³
Solubility
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
Safety 26-36/37/39-45
Risk Codes 22-34
Molecular Structure
Hazard Symbols C
Synonyms 1H-Benzotriazole-1-carbonyl chloride (9CI);
PSA 47.78000
LogP 1.63820

1H-Benzotriazole-1-carbonyl chloride Specification

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

Product Name

BENZOTRIAZOLE-1-CARBONYL CHLORIDE TECH.

1H-Benzotriazole-1-carbonyl chloride Specification

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