CAS No.3508-00-7,Heptadecane, 1-bromo- Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3508-00-7
Name:	Heptadecane, 1-bromo-
Article Data:	22

Formula:	C₁₇H₃₅Br
Molecular Weight:	319.369
Synonyms:	1-Bromoheptadecane;Heptadecyl bromide;NSC 103682;n-Heptadecyl bromide;
EINECS:	222-506-2
Density:	0.99 g/cm³
Melting Point:	29-32 °C
Boiling Point:	348.3 °C at 760 mmHg
Flash Point:	145.4 °C
Safety:	22-24/25
PSA:	0.00000
LogP:	7.25270

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Specification

This chemical is called Heptadecane, 1-bromo-, and its systematic name is 1-bromoheptadecane. With the molecular formula of C₁₇H₃₅Br, its molecular weight is 319.36. The CAS registry number of this chemical is 3508-00-7. Additionally, its product categories are Mixed Fatty Acids; Alkyl Bromides; Monofunctional Alkanes; Fatty Acid Derivatives & Lipids; Glycerols. It should be sealed in the ventilated and dry place.

Other characteristics of the Heptadecane, 1-bromo- can be summarised as followings: (1)ACD/LogP: 9.65; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.65; (4)ACD/LogD (pH 7.4): 9.65; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4230780.5; (8)ACD/KOC (pH 7.4): 4230780.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Index of Refraction: 1.461; (13)Molar Refractivity: 88.53 cm³; (14)Molar Volume: 322.3 cm³; (15)Polarizability: 35.09×10^-24cm³; (16)Surface Tension: 31 dyne/cm; (17)Density: 0.99 g/cm³; (18)Flash Point: 145.4 °C; (19)Enthalpy of Vaporization: 56.93 kJ/mol; (20)Boiling Point: 348.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000102 mmHg at 25°C.

Production method of this chemical: The Heptadecane, 1-bromo- could be obtained by the reactant of heptadecan-1-ol. This reaction needs the reagent of hydrobromic acid.

Uses of this chemical: The Heptadecane, 1-bromo- could react with furan, and obtain the 2-heptadecyl-furan. This reaction needs the reagent of n-BuLi, and the solvent of tetrahydrofuran. The yield is 48 %. In addition, this reaction should be taken for 12 hours at the temperature of -78 - 20°C.

furan and Heptadecane, 1-bromo- 2-heptadecyl-furan

When you are using this chemical, please be cautious about it as the following: Do not breathe vapour. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: BrCCCCCCCCCCCCCCCCC
2.InChI: InChI=1/C17H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-17H2,1H3
3.InChIKey:HHSDZLLPIXMEIU-UHFFFAOYAX