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| CAS No.: | 22265-36-7 |
|---|---|
| Name: | 4-Bromo-benzamidine |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C7H7BrN2 |
| Molecular Weight: | 199.05 |
| Synonyms: | 4-Bromobenzamidine;Benzamidine,p-bromo- (8CI);4-Bromobenzenecarboximidamide;p-Bromobenzamidine; |
| Density: | 1.62 g/cm3 |
| Melting Point: | 218℃ |
| Boiling Point: | 260.8 °C at 760 mmHg |
| Flash Point: | 111.5 °C |
| PSA: | 49.87000 |
| LogP: | 3.33520 |
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- Total:25 Page 1 of 1 1
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Specification
The CAS register number of 4-Bromo-benzamidine is 22265-36-7. It also can be called as 4-Bromobenzamidine and the IUPAC name about this chemical is 4-bromobenzenecarboximidamide. The molecular formula about this chemical is C7H7BrN2 and the molecular weight is 199.05. It belongs to the following product category which includes pharmacetical.
Physical properties about 4-Bromo-benzamidine are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): -0.41; (3)ACD/LogD (pH 7.4): -0.4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.75; (7)ACD/KOC (pH 7.4): 1.78; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 15.6 Å2; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 43.63 cm3; (14)Molar Volume: 122.6 cm3; (15)Polarizability: 17.29x10-24cm3; (16)Surface Tension: 50.9 dyne/cm; (17)Density: 1.62 g/cm3; (18)Flash Point: 111.5 °C; (19)Enthalpy of Vaporization: 49.85 kJ/mol; (20)Boiling Point: 260.8 °C at 760 mmHg; (21)Vapour Pressure: 0.012 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(C(=[N@H])N)cc1
(2)InChI: InChI=1/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
(3)InChIKey: JODFDXUBCBQKNC-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
(5)Std. InChIKey: JODFDXUBCBQKNC-UHFFFAOYSA-N