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1-Bromo Heptane CAS No.:629-04-9

1-Bromo Heptane CAS No.:629-04-9

1-Bromoheptane Specification The IUPAC name of this product is 1-bromoheptane. With the CAS registry number 629-04-9, it is also named as Heptyl bromide; Heptane, 1-bromo-. The product's categories are bromine compounds; alkyl bromides; monofunctional & alpha,omega-bifunctional alkanes;...

Name

1-Bromoheptane

EINECS

211-068-8

CAS No.

629-04-9

Density

1.14 g/cm3

Solubility

Insoluble in water

Melting Point

-58 °C(lit.)

Formula

C7H15Br

Boiling Point

178.7 °C at 760 mmHg

Molecular Weight

179.13

Flash Point

60.6 °C

Transport Information

UN 1993 3/PG 3

Appearance

Colorless liquid

Safety

23-24/25-37/39-26

Risk Codes

36/37

Molecular Structure

1.jpg

Hazard Symbols

3(001).jpgXi,  2(001).jpgF

Synonyms

Heptyl bromide;NSC 7315;




1-Bromoheptane Specification

The IUPAC name of this product is 1-bromoheptane. With the CAS registry number 629-04-9, it is also named as Heptyl bromide; Heptane, 1-bromo-. The product's categories are bromine compounds; alkyl bromides; monofunctional & alpha,omega-bifunctional alkanes; monofunctional alkanes. In addition, this chemical is colorless liquid which is stable, flammable and incompatible with oxidizing agents, strong bases.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.34; (4)ACD/LogD (pH 7.4): 4.34; (5)ACD/BCF (pH 5.5): 1162.76; (6)ACD/BCF (pH 7.4): 1162.76; (7)ACD/KOC (pH 5.5): 5443.48; (8)ACD/KOC (pH 7.4): 5443.48; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.449; (13)Molar Refractivity: 42.21 cm3; (14)Molar Volume: 157.2 cm3; (15)Polarizability: 16.73×10-24 cm3; (16)Surface Tension: 28.3 dyne/cm; (17)Enthalpy of Vaporization: 39.79 kJ/mol; (18)Vapour Pressure: 1.32 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 178.035713; (21)MonoIsotopic Mass: 178.035713; (22)Heavy Atom Count: 8.

Preparation of 1-Bromoheptane: It can be obtained by 1-fluoro-heptane with 47percent aq. HBr at 130 °C. The reaction time is 8 hours. The yield is 87%.


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