CAS No.54745-92-5,2-QUINOXALINECARBONYL CHLORIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	54745-92-5
Name:	2-QUINOXALINECARBONYL CHLORIDE
Article Data:	8

Formula:	C₉H₅ClN₂O
Molecular Weight:	192.605
Synonyms:	2-Quinoxalinecarbonyl Chloride (7CI, 9CI);Quinoxaline-2-carbonyl chloride;
EINECS:	259-315-9
Density:	1.411 g/cm³
Melting Point:	113-115 °C (lit.)
Boiling Point:	324.4 °C at 760 mmHg
Flash Point:	150 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-27-28-36/37/39-45
Transport Information:	UN 3261
PSA:	42.85000
LogP:	2.00880

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Specification

The 2-Quinoxalinecarbonylchloride, with the CAS registry number 54745-92-5, is also known as 2-Quinoxalinecarbonyl chloride (7CI, 9CI). It belongs to the product category of Acidhalide. Its EINECS registry number is 259-315-9. This chemical's molecular formula is C₉H₅ClN₂O and molecular weight is 192.6. What's more, its IUPAC name is Quinoxaline-2-carbonyl chloride. In addition, it must be stored in airtight containers and placed at a temperature of blew 4 °C.

Physical properties about 2-Quinoxalinecarbonylchloride are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.61; (6)ACD/BCF (pH 7.4): 5.61; (7)ACD/KOC (pH 5.5): 119.62; (8)ACD/KOC (pH 7.4): 119.62; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.85 Å²; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 50.52 cm³; (15)Molar Volume: 136.4 cm³; (16)Polarizability: 20.02×10^-24cm³; (17)Surface Tension: 62.3 dyne/cm; (18)Density: 1.411 g/cm³; (19)Flash Point: 150 °C; (20)Enthalpy of Vaporization: 56.64 kJ/mol; (21)Boiling Point: 324.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000246 mmHg at 25 °C.

Uses of 2-Quinoxalinecarbonylchloride: it is used to produce other chemicals. For example, it is used to produce Quinoxaline-2-carboxylic acid phenethyl-amide at ambient temperature. This reaction needs reagents Triethylamine and Phenethylamine. Meanwhile, it needs solvent Benzene. The reaction time is 3 hours. The yield is about 75 %.

2-Quinoxalinecarbonylchloride can react with Phenethylamine to get Quinoxaline-2-carboxylic acid phenethyl-amide.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns and may destroy living tissue on contact. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). What's more, take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)c1nc2ccccc2nc1
(2) InChI: InChI=1/C9H5ClN2O/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8/h1-5H
(3) InChIKey: SOPDQKNXOCUBSR-UHFFFAOYAB