CAS No.230-27-3,7,8-BENZOQUINOLINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	230-27-3
Name:	7,8-BENZOQUINOLINE
Article Data:	65

Formula:	C₁₃H₉N
Molecular Weight:	179.221
Synonyms:	4-Azaphenanthrene;7,8-Benzo[h]quinoline;7,8-Benzoquinoline;NSC 16033;a-Benzoquinoline;a-Naphthoquinoline;
EINECS:	205-937-0
Density:	1.187 g/cm³
Melting Point:	48-50 °C(lit.)
Boiling Point:	340.8 °C at 760 mmHg
Flash Point:	155.9 °C
Appearance:	off-white to brown crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25-36-26
PSA:	12.89000
LogP:	3.38800

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Specification

The Benzo[h]quinoline is an organic compound with the formula C₁₃H₉N. The IUPAC name of this chemical is benzo[h]quinoline. With the CAS registry number 230-27-3, it is also named as 1-Naphthoquinoline. The product's category is API Intermediates. Besides, it is an off-white to brown crystalline powder, which should be stored in a closed and dark place. It is the reagent of determination of bismuth and cadmium.

Physical properties about Benzo[h]quinoline are: (1)ACD/LogP: 3.32; (2)ACD/LogD (pH 5.5): 3.29; (3)ACD/LogD (pH 7.4): 3.31; (4)ACD/BCF (pH 5.5): 184.26; (5)ACD/BCF (pH 7.4): 194.45; (6)ACD/KOC (pH 5.5): 1433.77; (7)ACD/KOC (pH 7.4): 1513.06; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 ?2; (10)Index of Refraction: 1.726; (11)Molar Refractivity: 60.02 cm³; (12)Molar Volume: 150.8 cm³; (13)Polarizability: 23.79×10^-24cm³; (14)Surface Tension: 54 dyne/cm; (15)Density: 1.187 g/cm³; (16)Flash Point: 155.9 °C; (17)Enthalpy of Vaporization: 56.12 kJ/mol; (18)Boiling Point: 340.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000166 mmHg at 25°C.

Preparation: this chemical can be prepared by naphthalen-1-ylamine and propane-1,3-diol. This reaction will need catalyst RuCl₃*nH₂O+PBu₃ and solvent bis-(2-methoxy-ethyl) ether. The reaction time is 5 hours by heating. The yield is about 37%.

Uses of Benzo[h]quinoline: it can be used to produce benzo[h]quinoline-5,6-dione. It will need reagent chromic acid and glacial acetic acid.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, do not breathe dust and avoid contact with skin and eyes. 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: n2cccc3ccc1ccccc1c23
(2)InChI: InChI=1/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H
(3)InChIKey: WZJYKHNJTSNBHV-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H
(5)Std. InChIKey: WZJYKHNJTSNBHV-UHFFFAOYSA-N