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Name |
3-Thiophenemethanol,4-bromo- |
EINECS | N/A |
CAS No. | 70260-05-8 | Density | 1.772 g/cm3 |
PSA | 48.47000 | LogP | 2.00290 |
Solubility | N/A | Melting Point |
53-53.5 |
Formula | C5H5BrOS | Boiling Point | 269.9 °C at 760 mmHg |
Molecular Weight | 193.064 | Flash Point | 117 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
(4-bromothiophen-3-yl)methanol;3-Bromo-4-(hydroxymethyl)thiophene; |
Article Data | 3 |
The 3-Thiophenemethanol,4-bromo-, with the CAS registry number 70260-05-8, has the systematic name of (4-bromothiophen-3-yl)methanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H5BrOS.
The characteristics of 3-Thiophenemethanol,4-bromo- are as followings: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 37.47 Å2; (7)Index of Refraction: 1.63; (8)Molar Refractivity: 38.77 cm3; (9)Molar Volume: 108.9 cm3; (10)Polarizability: 15.37×10-24cm3; (11)Surface Tension: 53.4 dyne/cm; (12)Density: 1.772 g/cm3; (13)Flash Point: 117 °C; (14)Enthalpy of Vaporization: 53.67 kJ/mol; (15)Boiling Point: 269.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00348 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1c(csc1)CO
(2)InChI: InChI=1/C5H5BrOS/c6-5-3-8-2-4(5)1-7/h2-3,7H,1H2
(3)InChIKey: MPKBPMYJCDNVEF-UHFFFAOYAH