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| CAS No.: | 34237-98-4 |
|---|---|
| Name: | 3,3'-dibromobenzidine |
| Molecular Structure: | |
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| Formula: | C12H10Br2N2 |
| Molecular Weight: | 342.033 |
| Synonyms: | Benzidine,3,3'-dibromo- (6CI,8CI);3,3'-Dibromobenzidine;4,4'-Diamino-3,3'-dibromobiphenyl;3,3'-Dibromobiphenyl-4,4'-diamine; |
| Density: | 1.784 g/cm3 |
| Boiling Point: | 399 °C at 760 mmHg |
| Flash Point: | 195.1 °C |
| PSA: | 52.04000 |
| LogP: | 5.20540 |
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Specification
This chemical is called [1,1'-Biphenyl]-4,4'-diamine,3,3'-dibromo-, and it can also be named as 3,3'-Dibromobenzidine. With the molecular formula of C12H10Br2N2, its molecular weight is 342.0292. The CAS registry number of this chemical is 34237-98-4, and its systematic name is 3,3'-Dibromobiphenyl-4,4'-diamine.
Other characteristics of the [1,1'-Biphenyl]-4,4'-diamine,3,3'-dibromo- can be summarised as followings: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.89; (4)ACD/LogD (pH 7.4): 3.89; (5)ACD/BCF (pH 5.5): 532.71; (6)ACD/BCF (pH 7.4): 533.34; (7)ACD/KOC (pH 5.5): 3112.28; (8)ACD/KOC (pH 7.4): 3115.95; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 74.69 cm3; (15)Molar Volume: 191.6 cm3; (16)Polarizability: 29.61×10-24 cm3; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.784 g/cm3; (19)Flash Point: 195.1 °C; (20)Enthalpy of Vaporization: 64.96 kJ/mol; (21)Boiling Point: 399 °C at 760 mmHg; (22)Vapour Pressure: 1.42E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc2cc(c1ccc(N)c(Br)c1)ccc2N
2.InChI: InChI=1/C12H10Br2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
3.InChIKey: QWUSZGIKGARVEC-UHFFFAOYAU