3-Thiophenemethanol,4-bromo- supplier

Name
3-Bromo-4-(hydroxymethyl)thiophene
EINECS
CAS No. 70260-05-8
Article Data3
CAS DataBase
Density 1.772 g/cm³
Solubility
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
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms (4-bromothiophen-3-yl)methanol;3-Bromo-4-(hydroxymethyl)thiophene;
PSA 48.47000
LogP 2.00290

3-Thiophenemethanol,4-bromo- Specification

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

Product Name

3-Bromo-4-(hydroxymethyl)thiophene

3-Thiophenemethanol,4-bromo- Specification

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