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CAS No.: | 32587-64-7 |
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Name: | 2,2'-DIMETHYLBIPHENYL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C22H18 |
Molecular Weight: | 282.385 |
Synonyms: | 1,1'-Binaphthalene,2,2'-dimethyl-, (S)-;1,1'-Binaphthyl, 2,2'-dimethyl-, (+)- (8CI);(+)-2,2'-Dimethylbinaphthyl;(S)-(+)-2,2'-Dimethyl-1,1'-binaphthalene;(S)-2,2'-Dimethyl-1,1'-binaphthalene;(S)-2,2'-Dimethyl-1,1'-binaphthyl; |
Density: | 1.105 g/cm3 |
Melting Point: | 18 °C |
Boiling Point: | 401.8 °C at 760 mmHg |
Flash Point: | 192.3 °C |
PSA: | 0.00000 |
LogP: | 3.97040 |
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This chemical is called 1,1'-Binaphthalene,2,2'-dimethyl-, (1S)-, and its systematic name is 2,2'-dimethyl-1,1'-binaphthalene. With the molecular formula of C22H18, its molecular weight is 182.26. The CAS registry number of this chemical is 32587-64-7. In addition, keep the chemical in a cool and dry place. Ensure the workshop ventilated.
Other characteristics of the 1,1'-Binaphthalene,2,2'-dimethyl-, (1S)- can be summarised as followings: (1).ACD/LogP: 7.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.36; (4)ACD/LogD (pH 7.4): 7.36; (5)ACD/BCF (pH 5.5): 229878.5; (6)ACD/BCF (pH 7.4): 229878.5; (7)ACD/KOC (pH 5.5): 239516.75; (8)ACD/KOC (pH 7.4): 239516.75; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 96.17 cm3; (15)Molar Volume: 255.5 cm3; (16)Polarizability: 38.12×10-24cm3; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.105 g/cm3; (19)Flash Point: 192.3 °C; (20)Enthalpy of Vaporization: 62.74 kJ/mol; (21)Boiling Point: 401.8 °C at 760 mmHg; (22)Vapour Pressure: 2.66E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c4c1ccccc1c(c3c2ccccc2ccc3C)c(c4)C
2.InChI: InChI=1/C22H18/c1-15-11-13-17-7-3-5-9-19(17)21(15)22-16(2)12-14-18-8-4-6-10-20(18)22/h3-14H,1-2H3
3.InChIKey: KDHFKMDVFWYSPT-UHFFFAOYAT
4.Std. InChI: InChI=1S/C22H18/c1-15-11-13-17-7-3-5-9-19(17)21(15)22-16(2)12-14-18-8-4-6-10-20(18)22/h3-14H,1-2H3
5.Std. InChIKey: KDHFKMDVFWYSPT-UHFFFAOYSA-N