CAS No.4653-11-6,4-(2-THIENYL)BUTYRIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4653-11-6
Name:	4-(2-THIENYL)BUTYRIC ACID
Article Data:	22

Formula:	C₈H₁₀O₂S
Molecular Weight:	170.232
Synonyms:	2-Thiophenebutyricacid (6CI,7CI,8CI);4-(2-Thienyl)butanoic acid;4-(2-Thienyl)butyric acid;4-(Thiophen-2-yl)butanoic acid;4-Thiophen-2-ylbutyric acid;
EINECS:	225-090-0
Density:	1.221 g/cm³
Melting Point:	13.5-15 °C
Boiling Point:	296.9 °C at 760 mmHg
Flash Point:	133.4 °C
Appearance:	clear slightly brownish liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	65.54000
LogP:	2.15540

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Specification

The cas register number of 4-(2-Thienyl)butyric acid is 4653-11-6. It also can be called as 2-Thiophenebutyric acid and the IUPAC Name about this chemical is 4-thiophen-2-ylbutanoic acid. It belongs to the Heterocycles.

Physical properties about 4-(2-Thienyl)butyric acid are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): -0.56; (4)ACD/BCF (pH 5.5): 3.21; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 45.82; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 54.54Å²; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 45.01 cm³; (14)Molar Volume: 139.3 cm³; (15)Polarizability: 17.84x10^-24cm³; (16)Surface Tension: 48.8 dyne/cm; (17)Enthalpy of Vaporization: 56.68 kJ/mol; (18)Vapour Pressure: 0.000628 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)CCCC(=O)O
(2)InChI: InChI=1S/C8H10O2S/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10)
(3)InChIKey: VYTXLSQVYGNWLV-UHFFFAOYSA-N