CAS No.387350-63-2,3-(CHLOROMETHYL)-6-(TRIFLUOROMETHYL)PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	387350-63-2
Name:	3-(CHLOROMETHYL)-6-(TRIFLUOROMETHYL)PYRIDINE

Formula:	C₁₀H₈N₂O₂
Molecular Weight:	195.57
Synonyms:	2-Methyl-1,6-naphthyridine-3-carboxylicacid;
Density:	1.359g/cm³
Melting Point:	267-269°C
Boiling Point:	368.8 °C at 760 mmHg
Flash Point:	176.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	63.08000
LogP:	1.63640

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Specification

The 1,6-Naphthyridine-3-carboxylicacid, 2-methyl-, with CAS registry number 387350-63-2, has the systematic name of 2-methyl-1,6-naphthyridine-3-carboxylic acid. Besides this, it is also called 3-(Chloromethyl)-6-(trifluoromethyl)pyridine. And the chemical formula of this chemical is C₁₀H₈N₂O₂.

Physical properties of 1,6-Naphthyridine-3-carboxylicacid, 2-methyl-: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.88; (4)ACD/LogD (pH 7.4): -2.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 52.03 cm³; (15)Molar Volume: 138.8 cm³; (16)Polarizability: 20.62×10^-24cm³; (17)Surface Tension: 68.4 dyne/cm; (18)Density: 1.355 g/cm³; (19)Flash Point: 176.9 °C; (20)Enthalpy of Vaporization: 64.94 kJ/mol; (21)Boiling Point: 368.8 °C at 760 mmHg; (22)Vapour Pressure: 4.32E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1,6-Naphthyridine-3-carboxylicacid, 2-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=C(O)c1cc2c(nc1C)ccnc2
(2)InChI: InChI=1/C10H8N2O2/c1-6-8(10(13)14)4-7-5-11-3-2-9(7)12-6/h2-5H,1H3,(H,13,14)
(3)InChIKey: QPJMZENOEJWDKD-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H8N2O2/c1-6-8(10(13)14)4-7-5-11-3-2-9(7)12-6/h2-5H,1H3,(H,13,14)
(5)Std. InChIKey: QPJMZENOEJWDKD-UHFFFAOYSA-N