CAS No.629-63-0,ORANILE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	629-63-0
Name:	ORANILE
Article Data:	35

Formula:	C₁₄H₂₇N
Molecular Weight:	209.375
Synonyms:	NSC 910;Tetradecanonitrile;n-Tetradecanonitrile;Myristonitrile(7CI,8CI);
EINECS:	211-099-7
Density:	0.827 g/cm³
Melting Point:	19°C
Boiling Point:	306.3 °C at 760 mmHg
Flash Point:	121.8 °C
Hazard Symbols:	R22:Harmful if swallowed.;
Risk Codes:	22
Safety:	36/37
PSA:	23.79000
LogP:	5.21108

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Specification

The Tetradecanenitrile, also known as 1-Cyanotridecane, is an organic compound with the formula C₁₄H₂₇N. Its EINECS registry number is 211-099-7. When you are using this chemical, please be cautious about it. It is harmful if swallowed. Whenever you will contact it, please wear suitable protective clothing and gloves. With the CAS registry number 629-63-0, its IUPAC name is tetradecanenitrile. The product should be sealed and stored in cool and dry place. What's more, it should be protected from oxides.

Physical properties of Tetradecanenitrile: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.93; (4)ACD/LogD (pH 7.4): 5.93; (5)ACD/BCF (pH 5.5): 18881.8; (6)ACD/BCF (pH 7.4): 18881.8; (7)ACD/KOC (pH 5.5): 40029.34; (8)ACD/KOC (pH 7.4): 40029.34; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 11; (11)Index of Refraction: 1.441; (12)Molar Refractivity: 66.82 cm³; (13)Molar Volume: 253 cm³; (14)Surface Tension: 31 dyne/cm; (15)Density: 0.827 g/cm³; (16)Flash Point: 121.8 °C; (17)Enthalpy of Vaporization: 54.68 kJ/mol; (18)Boiling Point: 306.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000777 mmHg at 25°C.

Preparation of Tetradecanenitrile: this chemical can be prepared by tetradecanoic acid at 290 - 300 °C. This reaction will need reagent ammonia.

Tetradecanenitrile can be prepared by tetradecanoic acid

Uses of Tetradecanenitrile: it can be used to produce 4-pyridin-4-yl-6-tridecyl-[1,3,5]triazin-2-ylamine at 165 - 180 °C. This reaction will need 9 hours. The yield is about 76%.

Tetradecanenitrile can be used to produce 4-pyridin-4-yl-6-tridecyl-[1,3,5]triazin-2-ylamine

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCC#N
(2)InChI: InChI=1S/C14H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3
(3)InChIKey: MLRCLPRHEOPXLL-UHFFFAOYSA-N