CAS No.135-79-5,6-ISOPROPYLQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	135-79-5
Name:	6-ISOPROPYLQUINOLINE
Article Data:	10

Formula:	C₁₂H₁₃N
Molecular Weight:	171.242
Synonyms:	Quinoline,6-isopropyl- (7CI,8CI);6-Isopropylquinoline;
EINECS:	205-220-2
Density:	1.026 g/cm³
Boiling Point:	271.5 °C at 760 mmHg
Flash Point:	109.9 °C
Risk Codes:	20/21/22
Safety:	23-36/37/39
PSA:	12.89000
LogP:	3.35820

Total:31 Page 1 of 1 1

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Specification

The Quinoline,6-(1-methylethyl)- is an organic compound with the formula C₁₂H₁₃N. The IUPAC name of this chemical is 6-propan-2-ylquinoline. With the CAS registry number 135-79-5, it is also named as 6-(isopropyl)quinoline. The product's categories are Quinoline & Isoquinoline; Alkylquinolines; Quinolines.

Physical properties about Quinoline,6-(1-methylethyl)- are: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 3.26; (3)ACD/LogD (pH 7.4): 3.42; (4)ACD/BCF (pH 5.5): 161.88; (5)ACD/BCF (pH 7.4): 233.79; (6)ACD/KOC (pH 5.5): 1193.63; (7)ACD/KOC (pH 7.4): 1723.89; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.89 Å²; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 56.37 cm³; (13)Molar Volume: 166.8 cm³; (14)Polarizability: 22.34×10^-24cm³; (15)Surface Tension: 40.2 dyne/cm; (16)Density: 1.026 g/cm³; (17)Flash Point: 109.9 °C; (18)Enthalpy of Vaporization: 48.92 kJ/mol; (19)Boiling Point: 271.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0107 mmHg at 25°C.

Uses of Quinoline,6-(1-methylethyl)-: it can be used to produce 2-(4-tert-butylphenyl)-6-isopropylquinoline at room temperature. It will need reagent diethyl ether, tetrahydrofuran with reaction time of 12 hours. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable gloves and eye/face protection and do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccc2cc(ccc12)C(C)C
(2)InChI: InChI=1/C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9H,1-2H3
(3)InChIKey: NKCQEIXYLHACJC-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9H,1-2H3
(5)Std. InChIKey: NKCQEIXYLHACJC-UHFFFAOYSA-N