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CAS No.: | 24279-74-1 |
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Name: | 2-CHLORO-1-METHYL-1H-INDOLE-3-CARBALDEHYDE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C10H8ClNO |
Molecular Weight: | 193.633 |
Synonyms: | 2-Chloro-1-methyl-1H-indole-3-carbaldehyde; |
Density: | 1.26 g/cm3 |
Melting Point: | 98-99 °C |
Boiling Point: | 345.8 °C at 760 mmHg |
Flash Point: | 162.9 °C |
Hazard Symbols: | Xi |
PSA: | 22.00000 |
LogP: | 2.64420 |
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The 2-Chloro-1-methyl-indole-3-carbaldehyde, with the CAS registry number 24279-74-1, is also known as 2-Chloro-1-methyl-1H-indole-3-carbaldehyde. This chemical's molecular formula is C10H8ClNO and molecular weight is 193.63. What's more, its IUPAC name is 2-Chloro-1-methylindole-3-carbaldehyde. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-Chloro-1-methyl-indole-3-carbaldehyde are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22 Å2; (7)Index of Refraction: 1.605; (8)Molar Refractivity: 52.75 cm3; (9)Molar Volume: 152.9 cm3; (10)Polarizability: 20.91×10-24 cm3; (11)Surface Tension: 43 dyne/cm; (12)Density: 1.26 g/cm3; (13)Flash Point: 162.9 °C; (14)Enthalpy of Vaporization: 58.99 kJ/mol; (15)Boiling Point: 345.8 °C at 760 mmHg; (16)Vapour Pressure: 6.02E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2c1ccccc1n(c2Cl)C
(2) InChI: InChI=1/C10H8ClNO/c1-12-9-5-3-2-4-7(9)8(6-13)10(12)11/h2-6H,1H3
(3) InChIKey: HUVIBKTZVLYGIR-UHFFFAOYAT