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CAS No.: | 70260-05-8 |
---|---|
Name: | 3-Bromo-4-(hydroxymethyl)thiophene |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H5BrOS |
Molecular Weight: | 193.064 |
Synonyms: | (4-bromothiophen-3-yl)methanol;3-Bromo-4-(hydroxymethyl)thiophene; |
Density: | 1.772 g/cm3 |
Melting Point: | 53-53.5 |
Boiling Point: | 269.9 °C at 760 mmHg |
Flash Point: | 117 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 48.47000 |
LogP: | 2.00290 |
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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