CAS No.111198-08-4,1H-Benzotriazole-1-acetonitrile Suppliers

Products Categories

Pharmaceutical (23)
Organic Chemicals (7)
Others (2)
Reagent (1)
Materials (1)

Basic Information

Molecular Structure:
CAS No.:	111198-08-4
Name:	1H-Benzotriazole-1-acetonitrile
Article Data:	13

Formula:	C₈H₆N₄
Molecular Weight:	158.162
Synonyms:	Benzotriazol-1-ylacetonitrile;2-(1H-Benzotriazol-1-yl)acetonitrile;2-(1H-1,2,3-Benzotriazol-1-yl)acetonitrile;1H-1,2,3-benzotriazole-1-acetonitrile;
Density:	1.3 g/cm³
Melting Point:	84-89 °C(lit.)
Boiling Point:	370.1 °C at 760 mmHg
Flash Point:	177.6 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36
PSA:	54.50000
LogP:	0.95488

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:31 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 111198-08-4

Specification

The CAS registry number of 1H-Benzotriazole-1-acetonitrile is 111198-08-4. The IUPAC name is 1H-benzotriazol-1-ylacetonitrile. In addition, the molecular formula is C₈H₆N₄ and the molecular weight is 158.16. It belongs to the classes of C-C Bond Formation; Others; Synthetic Reagents. In addition, it must be stored in airtight containers and placed in a dry and cool place.

Physical properties about 1H-Benzotriazole-1-acetonitrile are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 54.5 Å²; (7)Index of Refraction: 1.689; (8)Molar Refractivity: 46.29 cm³; (9)Molar Volume: 121.2 cm³; (10)Polarizability: 18.35×10^-24 cm³; (11)Surface Tension: 57.8 dyne/cm; (12)Density: 1.3 g/cm³; (13)Flash Point: 177.6 °C; (14)Enthalpy of Vaporization: 61.69 kJ/mol; (15)Boiling Point: 370.1 °C at 760 mmHg; (16)Vapour Pressure: 1.13E-05 mmHg at 25 °C.

Preparation of 1H-Benzotriazole-1-acetonitrile: this chemical can be prepared by 1-Chloromethyl-1H-benzotriazole and Hydrocyanic acid. The reaction needs reagent dimethylsulfoxide. The reaction time is 18 hours at ambient temperature. And the yield is about 49 %.

Uses of 1H-Benzotriazole-1-acetonitrile: it can be used to produce 2-Benzotriazol-1-yl-acetamide. This reaction will need reagents K₂CO₃*1.5H₂O, 30percent H₂O₂ and solvent dimethylsulfoxide. The yield is about 93 %.

When you are using this chemical, please be cautious about it as the following:
Iit is irritating to eyes, respiratory system and skin. In addition, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCn2nnc1ccccc12
(2) InChI: InChI=1/C8H6N4/c9-5-6-12-8-4-2-1-3-7(8)10-11-12/h1-4H,6H2
(3) InChIKey: DIFOLZGBHRDEFT-UHFFFAOYAP