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Name |
1-Bromo-6-chlorohexane |
EINECS | 228-555-6 |
CAS No. | 6294-17-3 | Density | 1.311 g/cm3 |
PSA | 0.00000 | LogP | 3.18050 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H12BrCl | Boiling Point | 217.4 °C at 760 mmHg |
Molecular Weight | 199.518 | Flash Point | 101.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 23-24/25 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Bromo-6-chlorohexane;1-Chloro-6-bromohexane;6-Bromohexyl chloride;6-Chlorohexyl bromide;NSC 9249; |
Article Data | 12 |
The Hexane,1-bromo-6-chloro-, with the CAS registry number 6294-17-3 and EINECS registry number 228-555-6, has the systematic name of 1-bromo-6-chlorohexane. It belongs to the following product categories: Bromo Chloro; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; omega-Haloalkyl Chlorides; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. And the molecular formula of the chemical is C6H12BrCl.
The characteristics of Hexane,1-bromo-6-chloro- are as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 263.18; (6)ACD/BCF (pH 7.4): 263.18; (7)ACD/KOC (pH 5.5): 1879.41; (8)ACD/KOC (pH 7.4): 1879.41; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 42.42 cm3; (15)Molar Volume: 152.1 cm3; (16)Polarizability: 16.81×10-24cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 1.311 g/cm3; (19)Flash Point: 101.1 °C; (20)Enthalpy of Vaporization: 43.52 kJ/mol; (21)Boiling Point: 217.4 °C at 760 mmHg; (22)Vapour Pressure: 0.196 mmHg at 25°C.
Uses of Hexane,1-bromo-6-chloro-: It can react with 1-(2,5-dihydroxy-phenyl)-propan-1-one to produce 1-[5-(6-chloro-hexyloxy)-2-hydroxy-phenyl]-propan-1-one. This reaction will need reagent K2CO3, and the menstruum butan-2-one. The reaction time is 16 hours with heating, and the yield is about 83%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer), and avoid contact with skin and eyes.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCCCCCCCl
(2)InChI: InChI=1/C6H12BrCl/c7-5-3-1-2-4-6-8/h1-6H2
(3)InChIKey: JTYUIAOHIYZBPB-UHFFFAOYAO