3-Thiophenecarboxylicacid, 4-methoxy- supplier

Name
4-METHOXYTHIOPHENE-3-CARBOXYLIC ACID
EINECS
CAS No. 71050-40-3
Article Data3
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point 105 °C
Formula C₆H₆O₃S
Boiling Point 295.693 °C at 760 mmHg
Molecular Weight 158.178
Flash Point 132.631 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Methoxythiophene-3-carboxylicacid;4-methoxythiophene-3-carboxylic acid;3-thiophenecarboxylic acid, 4-methoxy-;4-Methoxythiophene-3-carboxylic acid;
PSA 74.77000
LogP 1.45490

3-Thiophenecarboxylicacid, 4-methoxy- Specification

The 3-Thiophenecarboxylicacid, 4-methoxy-, with cas registry number of 71050-40-3, has the systematic name of 4-methoxythiophene-3-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₆O₃S.

The characteristics of 3-Thiophenecarboxylicacid, 4-methoxy- are as followings: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.308; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 74.77 Å²; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 38.246 cm³; (13)Molar Volume: 115.445 cm³; (14)Polarizability: 15.162×10^-24cm³; (15)Surface Tension: 51.48 dyne/cm; (16)Density: 1.37 g/cm³; (17)Flash Point: 132.631 °C; (18)Enthalpy of Vaporization: 56.543 kJ/mol; (19)Boiling Point: 295.693 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1cscc1C(=O)O
(2)InChI: InChI=1/C6H6O3S/c1-9-5-3-10-2-4(5)6(7)8/h2-3H,1H3,(H,7,8)
(3)InChIKey: KEYPLCJVNVJJQK-UHFFFAOYAN

Product Name

4-METHOXYTHIOPHENE-3-CARBOXYLIC ACID

3-Thiophenecarboxylicacid, 4-methoxy- Specification

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