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CAS No.: | 14469-84-2 |
---|---|
Name: | 1-BROMO-5-(4-METHOXYPHENYL)PENTANE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C12H17BrO |
Molecular Weight: | 257.17 |
Synonyms: | Anisole,p-(5-bromopentyl)- (8CI); |
Density: | 1.23 g/cm3 |
Melting Point: | 96-99?°C(lit.) |
Boiling Point: | 325.3 °C at 760 mmHg |
Flash Point: | 128.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 9.23000 |
LogP: | 3.80290 |
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The Benzene,1-(5-bromopentyl)-4-methoxy-, with the CAS registry number 14469-84-2, is also known as 4-(5-Bromopentyl)phenyl methyl ether. This chemical's molecular formula is C12H17BrO and molecular weight is 257.16678. Its IUPAC name is called 1-(5-bromopentyl)-4-methoxybenzene. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzene,1-(5-bromopentyl)-4-methoxy-: (1)ACD/LogP: 4.58; (2)ACD/LogD (pH 5.5): 4.58; (3)ACD/LogD (pH 7.4): 4.58; (4)ACD/BCF (pH 5.5): 1782.72; (5)ACD/BCF (pH 7.4): 1782.72; (6)ACD/KOC (pH 5.5): 7391.34; (7)ACD/KOC (pH 7.4): 7391.34; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.525; (11)Molar Refractivity: 64.11 cm3; (12)Molar Volume: 208.9 cm3; (13)Surface Tension: 36 dyne/cm; (14)Density: 1.23 g/cm3; (15)Flash Point: 128.1 °C; (16)Enthalpy of Vaporization: 54.49 kJ/mol; (17)Boiling Point: 325.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000439 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)CCCCCBr
(2)InChI: InChI=1S/C12H17BrO/c1-14-12-8-6-11(7-9-12)5-3-2-4-10-13/h6-9H,2-5,10H2,1H3
(3)InChIKey: INBIEXZCBBDGHT-UHFFFAOYSA-N