Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromobenzene-1,3-diamine |
EINECS | N/A |
CAS No. | 33786-90-2 | Density | 1.698 g/cm3 |
PSA | 52.04000 | LogP | 2.77590 |
Solubility | N/A | Melting Point |
92 °C |
Formula | C6H7BrN2 | Boiling Point | 336.144 °C at 760 mmHg |
Molecular Weight | 187.039 | Flash Point | 157.094 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromo-1,3-benzenediamine;5-Bromo-1,3-phenylenediamine;5-Bromobenzene-1,3-diamine;1-Bromo-3,5-diaminobenzene, 5-Bromophenylene-1,3-diamine |
Article Data | 7 |
The 5-Bromobenzene-1,3-diamine is an organic compound with the formula C6H7BrN2. The systematic name of this chemical is 5-bromobenzene-1,3-diamine. With the CAS registry number 33786-90-2, it is also named as 5-Bromo-1,3-phenylenediamine.
Physical properties about 5-Bromobenzene-1,3-diamine are: (1)ACD/LogP: 0.98; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 112; (7)ACD/KOC (pH 7.4): 114; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 52.04 Å2; (12)Index of Refraction: 1.696; (13)Molar Refractivity: 42.415 cm3; (14)Molar Volume: 110.179 cm3; (15)Polarizability: 16.815×10-24cm3; (16)Surface Tension: 62.216 dyne/cm; (17)Density: 1.698 g/cm3; (18)Flash Point: 157.094 °C; (19)Enthalpy of Vaporization: 57.927 kJ/mol; (20)Boiling Point: 336.144 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(Br)cc(N)c1
(2)InChI: InChI=1/C6H7BrN2/c7-4-1-5(8)3-6(9)2-4/h1-3H,8-9H2
(3)InChIKey: MCGDFFHOFXZDDV-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H7BrN2/c7-4-1-5(8)3-6(9)2-4/h1-3H,8-9H2
(5)Std. InChIKey: MCGDFFHOFXZDDV-UHFFFAOYSA-N