1-Bromo-4-methoxybutane supplier

Name
1-Bromo-4-methoxybutane
EINECS
CAS No. 4457-67-4
Article Data13
CAS DataBase
Density 1.278
Solubility
Melting Point
Formula C₅H₁₁ Br O
Boiling Point 158.9 ºC at 760 mmHg
Molecular Weight 167.046
Flash Point 59.6 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ether,4-bromobutyl methyl (6CI,7CI,8CI);1-Bromo-4-methoxybutane;1-Methoxy-4-bromobutane;4-Bromobutyl methyl ether;4-Methoxybutyl bromide;Methyl 4-bromobutyl ether;w-Bromobutyl methyl ether;
PSA 9.23000
LogP 1.80790

1-Bromo-4-methoxybutane Specification

The Butane,1-bromo-4-methoxy-, with the cas registry number 4457-67-4, has the systematic name of 1-bromo-4-methoxybutane.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.4; (6)ACD/BCF (pH 7.4): 9.4; (7)ACD/KOC (pH 5.5): 173.01; (8)ACD/KOC (pH 7.4): 173.01; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 ; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 34.69 cm³; (15)Molar Volume: 130.6 cm³; (16)Polarizability: 13.75×10^-24 cm³; (17)Surface Tension: 28.9 dyne/cm; (18)Density: 1.278 g/cm³; (19)Flash Point: 59.6 °C; (20)Enthalpy of Vaporization: 37.93 kJ/mol; (21)Boiling Point: 158.9 °C at 760 mmHg; (22)Vapour Pressure: 3.33 mmHg at 25°C.

Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:BrCCCCOC
(2)InChI:InChI=1/C5H11BrO/c1-7-5-3-2-4-6/h2-5H2,1H3
(3)InChIKey:ALOQTNHQNMYBDE-UHFFFAOYAK

Product Name

1-Bromo-4-methoxybutane

1-Bromo-4-methoxybutane Specification

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