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| CAS No.: | 612499-04-4 |
|---|---|
| Name: | 5-Bromothiophen-2-ylmethylamine |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C5H6BrNS |
| Molecular Weight: | 192.079 |
| Synonyms: | (5-Bromothiophen-2-yl)methanamine;1-(5-Bromo-2-thienyl)methanamine;2-Thiophenemethanamine,5-bromo-;1-(5-Bromothiophen-2-yl)methanamine; |
| Density: | 1.669 g/cm3 |
| Boiling Point: | 246.1 °C at 760 mmHg |
| Flash Point: | 102.6 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 54.26000 |
| LogP: | 2.66960 |
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Specification
The 5-Bromothiophen-2-ylmethylamine with CAS registry number of 612499-04-4 is also called 2-Thiophenemethanamine,5-bromo-. The IUPAC name is 1-(5-bromothiophen-2-yl)methanamine. In addition, the formula is C5H6BrNS and the molecular weight is 192.0768.
Physical properties about 5-Bromothiophen-2-ylmethylamine are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 7.4): 0.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5.06; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 54.26 Å2; (12)Index of Refraction: 1.626; (13)Molar Refractivity: 40.77 cm3; (14)Molar Volume: 115 cm3; (15)Polarizability: 16.16 ×10-24cm3; (16)Surface Tension: 50.4 dyne/cm; (17)Density: 1.669 g/cm3; (18)Flash Point: 102.6 °C; (19)Enthalpy of Vaporization: 48.32 kJ/mol; (20)Boiling Point: 246.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0277 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCc1ccc(Br)s1
(2)InChI: InChI=1/C5H6BrNS/c6-5-2-1-4(3-7)8-5/h1-2H,3,7H2
(3)InChIKey: RAVKMGSIHFLQJU-UHFFFAOYAF