CAS No.40808-24-0,4,5-DIMETHYLTHIOPHENE-2-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40808-24-0
Name:	4,5-DIMETHYLTHIOPHENE-2-CARBOXYLIC ACID

Formula:	C₇H₈O₂S
Molecular Weight:	156.205
Synonyms:	4,5-Dimethylthiophene-2-carboxylicacid;4,5-Dimethyl-thiophene-2-carboxylic acid;
Density:	1.259 g/cm³
Melting Point:	206-211 °C
Boiling Point:	290.6 °C at 760 mmHg
Flash Point:	129.5 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	65.54000
LogP:	2.06310

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- China (Mainland)(24)
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Specification

The CAS register number of 2-Thiophenecarboxylicacid, 4,5-dimethyl- is 40808-24-0. It also can be called as 4,5-Dimethyl-thiophene-2-carboxylic acid and the systematic name about this chemical is 4,5-dimethylthiophene-2-carboxylic acid. The molecular formula about this chemical is C₇H₈O₂S and the molecular weight is 156.2. It belongs to the following product categories which include Thiophene & Benzothiophene; Building Blocks; Heterocyclic Building Blocks; Thiophenes and so on. This chemical is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Physical properties about 2-Thiophenecarboxylicacid, 4,5-dimethyl- are: (1)ACD/LogP: 2.49; (2)ACD/LogD (pH 5.5): 0.93; (3)ACD/LogD (pH 7.4): -0.48; (4)ACD/BCF (pH 5.5): 1.27; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.87; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.54Å²; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 41.21 cm³; (14)Molar Volume: 123.9 cm³; (15)Polarizability: 16.33x10^-24cm³; (16)Surface Tension: 48.8 dyne/cm; (17)Enthalpy of Vaporization: 55.97 kJ/mol; (18)Boiling Point: 290.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000945 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1sc(c(c1)C)C
(2)InChI: InChI=1/C7H8O2S/c1-4-3-6(7(8)9)10-5(4)2/h3H,1-2H3,(H,8,9)
(3)InChIKey: RZCDKLUMNAKVFB-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H8O2S/c1-4-3-6(7(8)9)10-5(4)2/h3H,1-2H3,(H,8,9)
(5)Std. InChIKey: RZCDKLUMNAKVFB-UHFFFAOYSA-N