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Cas Database |
| Name |
Benzene,2-(3-bromopropoxy)-1,4-dimethyl- |
EINECS | N/A |
| CAS No. | 3245-55-4 | Density | 1.27 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H15BrO | Boiling Point | 304.3 °C at 760mmHg |
| Molecular Weight | 243.143 | Flash Point | 120.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ether,3-bromopropyl 2,5-xylyl (7CI,8CI);1-Bromo-3-(2,5-dimethylphenoxy)propane;3-(2,5-Dimethylphenoxy)-1-bromopropane;3-(2,5-Dimethylphenoxy)propyl bromide;3-(2,5-Xylyloxy)propyl bromide;3-Bromopropyl 2,5-xylyl ether; |
Article Data | 2 |
Benzene,2-(3-bromopropoxy)-1,4-dimethyl- Specification
This chemical is called Benzene,2-(3-bromopropoxy)-1,4-dimethyl-, and its systematic name is 2-(3-bromopropoxy)-1,4-dimethylbenzene. With the molecular formula of C11H15BrO, its molecular weight is 243.14. The CAS registry number of this chemical is 3245-55-4.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.532; (8)Molar Refractivity: 59.57 cm3; (9)Molar Volume: 192.1 cm3; (10)Polarizability: 23.61×10-24 cm3; (11)Surface Tension: 36 dyne/cm; (12)Density: 1.265 g/cm3; (13)Flash Point: 120.1 °C; (14)Enthalpy of Vaporization: 52.28 kJ/mol; (15)Boiling Point: 304.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00159 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: BrCCCOc1cc(ccc1C)C
2.InChI: InChI=1/C11H15BrO/c1-9-4-5-10(2)11(8-9)13-7-3-6-12/h4-5,8H,3,6-7H2,1-2H3
3.InChIKey: DRFYEIPEKLGMKO-UHFFFAOYAE
4.Std. InChI: InChI=1S/C11H15BrO/c1-9-4-5-10(2)11(8-9)13-7-3-6-12/h4-5,8H,3,6-7H2,1-2H3
5.Std. InChIKey: DRFYEIPEKLGMKO-UHFFFAOYSA-N
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