CAS No.30515-28-7,7-Bromoheptanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	30515-28-7
Name:	7-Bromoheptanoic acid
Article Data:	34

Formula:	C₇H₁₃BrO₂
Molecular Weight:	209.083
Synonyms:	Enanthic acid, z-bromo- (4CI);w-Bromoheptanoic acid;
EINECS:	250-225-5
Density:	1.376 g/cm³
Melting Point:	136-138 °C
Boiling Point:	280.7 °C at 760 mmHg
Flash Point:	123.6 °C
Hazard Symbols:	Xi
PSA:	37.30000
LogP:	2.41640

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Specification

The Heptanoic acid, 7-bromo-, with the CAS registry number 30515-28-7 and EINECS registry number 250-225-5, has the systematic name and IUPAC name of 7-bromoheptanoic acid. It belongs to the product category of Organic acids. And the molecular formula of the chemical is C₇H₁₃BrO₂.

The characteristics of Heptanoic acid, 7-bromo- are as followings: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): -0.38; (5)ACD/BCF (pH 5.5): 4.48; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 59.7; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 43.77 cm³; (15)Molar Volume: 151.8 cm³; (16)Polarizability: 17.35×10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.376 g/cm³; (19)Flash Point: 123.6 °C; (20)Enthalpy of Vaporization: 57.17 kJ/mol; (21)Boiling Point: 280.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000985 mmHg at 25°C.

Preparation of 7-bromo-heptanoic acid ethyl ester: This chemical can be prepared by 7-bromo-heptanoic acid ethyl ester. The reaction will need reagent aq. LiOH, and the menstruum methanol and tetrahydrofuran. The reaction time is 4 hours with heating, and the yield is about 66%.

Uses of 7-bromo-heptanoic acid ethyl ester: It can react with ethynylsodium to produce non-8-ynoic acid. This reaction will need reagent liquid NH₃, and the menstruum diethyl ether. The reaction time is 6 hours, and the yield is about 71%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCCCCCCC(=O)O
(2)InChI: InChI=1/C7H13BrO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)
(3)InChIKey: JLPQXFFMVVPIRW-UHFFFAOYAR