Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate supplier

Name
Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate
EINECS
CAS No. 89380-77-8
Article Data3
CAS DataBase
Density 1.599 g/cm³
Solubility
Melting Point
Formula C₆H₅NO₅S
Boiling Point 329.379 °C at 760 mmHg
Molecular Weight 203.175
Flash Point 153.003 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl3-hydroxy-5-nitro-2-thiophenecarboxylate;
PSA 120.59000
LogP 1.67170

Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate Specification

The CAS register number of Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate is 89380-77-8. It also can be called as 2-Thiophenecarboxylicacid, 3-hydroxy-5-nitro-, methyl ester and the systematic name about this chemical is methyl 3-hydroxy-5-nitro-thiophene-2-carboxylate. It belongs to the Aminoacid.

Physical properties about Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 2.643; (3)ACD/LogD (pH 7.4): 2.506; (4)ACD/BCF (pH 5.5): 59.958; (5)ACD/BCF (pH 7.4): 43.758; (6)ACD/KOC (pH 5.5): 651.047; (7)ACD/KOC (pH 7.4): 475.135; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 120.59Å²; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 44.838 cm³; (14)Molar Volume: 127.077 cm³; (15)Polarizability: 17.775x10^-24cm³; (16)Surface Tension: 68.644 dyne/cm; (17)Enthalpy of Vaporization: 59.456 kJ/mol; (18)Boiling Point: 329.379 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1c(cc(s1)N(=O)=O)O
(2)InChI: InChI=1/C6H5NO5S/c1-12-6(9)5-3(8)2-4(13-5)7(10)11/h2,8H,1H3
(3)InChIKey: CJHDSFKNSOHWCK-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H5NO5S/c1-12-6(9)5-3(8)2-4(13-5)7(10)11/h2,8H,1H3
(5)Std. InChIKey: CJHDSFKNSOHWCK-UHFFFAOYSA-N

Product Name

Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate

Methyl 3-hydroxy-5-nitro-2-thiophenecarboxylate Specification

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