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CAS No.: | 3033-82-7 |
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Name: | 8-CHLOROQUINALDINE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C10H8ClN |
Molecular Weight: | 177.633 |
Synonyms: | Quinaldine,8-chloro- (6CI,7CI,8CI);8-Chloro-2-methylquinoline;NSC4982; |
EINECS: | -0 |
Density: | 1.225 g/cm3 |
Melting Point: | 64 °C |
Boiling Point: | 278.177 °C at 760 mmHg |
Flash Point: | 148.736 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 36/37/38-41-37/38-22 |
Safety: | 26-36/37/39-37/39 |
PSA: | 12.89000 |
LogP: | 3.19660 |
The Acetamide,N-2-benzothiazolyl-2-chloro-, with the CAS registry number 3033-82-7, is also known as 8-Chloroquinaldine. It belongs to the product categories of Quinoline; Quinoline & Isoquinoline; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Quinolines; Quinolines Heterocyclic Building Blocks. This chemical's molecular formula is C10H8ClN and molecular weight is 177.63. What's more, its systematic name and its IUPAC name are the same which is called 8-Chloro-2-methylquinoline. Additionally, it should be preserved hermetically and put in a cool, dry place. It is white to light yellow crystal powder.
Physical properties about Acetamide,N-2-benzothiazolyl-2-chloro-: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 12.89 Å2; (7)Index of Refraction: 1.634; (8)Molar Refractivity: 51.9 cm3; (9)Molar Volume: 144.9 cm3; (10)Surface Tension: 46.5 dyne/cm; (11)Density: 1.225 g/cm3; (12)Flash Point: 148.7 °C; (13)Enthalpy of Vaporization: 49.6 kJ/mol; (14)Boiling Point: 278.2 °C at 760 mmHg; (15)Vapour Pressure: 0.00732 mmHg at 25 °C; (16)Melting point: 64 °C.
Uses of Acetamide,N-2-benzothiazolyl-2-chloro-: it is used to produce other chemicals. For example, it is used to produce 8-Chloro-quinoline-2-carbaldehyde. The reaction occurs with reagent SeO2 and solvent Dioxane heating for 3.5 hours. The yield is 99%.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. If swallowed, it's harmful to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc2ccc(nc12)C
(2)InChI: InChI=1/C10H8ClN/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,1H3
(3)InChIKey: VVLYDFPOGMTMFJ-UHFFFAOYAA