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| CAS No.: | 91-06-5 |
|---|---|
| Name: | 1-BROMO-2,4,6-TRIETHYLBENZENE |
| Molecular Structure: | |
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| Formula: | C12H17Br |
| Molecular Weight: | 241.171 |
| Synonyms: | 2-Bromo-1,3,5-triethylbenzene;2-bromo-1,3,5-triethyl-benzene; |
| EINECS: | 202-038-5 |
| Density: | 1.181 g/cm3 |
| Boiling Point: | 276.4 °C at 760 mmHg |
| Flash Point: | 117.9 °C |
| PSA: | 0.00000 |
| LogP: | 4.13630 |
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- Total:15 Page 1 of 1 1
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Specification
This chemical is called Benzene, 2-bromo-1,3,5-triethyl-, and its systematic name is 2-bromo-1,3,5-triethylbenzene. With the molecular formula of C12H17Br, its molecular weight is 241.17. The CAS registry number of this chemical is 91-06-5.
Other characteristics of the Benzene, 2-bromo-1,3,5-triethyl- can be summarised as followings: (1)ACD/LogP: 5.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.96; (4)ACD/LogD (pH 7.4): 5.96; (5)ACD/BCF (pH 5.5): 20084.13; (6)ACD/BCF (pH 7.4): 20084.13; (7)ACD/KOC (pH 5.5): 41837.74; (8)ACD/KOC (pH 7.4): 41837.74; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 62.59 cm3; (15)Molar Volume: 204 cm3; (16)Polarizability: 24.81×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.181 g/cm3; (19)Flash Point: 117.9 °C; (20)Enthalpy of Vaporization: 49.42 kJ/mol; (21)Boiling Point: 276.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00809 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1c(cc(cc1CC)CC)CC
2.InChI: InChI=1/C12H17Br/c1-4-9-7-10(5-2)12(13)11(6-3)8-9/h7-8H,4-6H2,1-3H3
3.InChIKey: GYPGUOPEQLYKQZ-UHFFFAOYAD