2-Thiophenecarboxylicacid, 5-chloro-4-nitro- supplier

Name
5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID
EINECS 604-604-1
CAS No. 89166-85-8
Density 1.801g/cm³
Solubility
Melting Point
Formula C₅H₂ClNO₄S
Boiling Point 390.406 °C at 760 mmHg
Molecular Weight 207.594
Flash Point 189.911 °C
Transport Information
Appearance
Safety 7/47-36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms AKOS 92419;5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID;5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID, 95+%;5-Chloro-4-nitrothiophene-2-carboxylic acid ,97%
PSA 111.36000
LogP 2.53110

2-Thiophenecarboxylicacid, 5-chloro-4-nitro- Specification

The 2-Thiophenecarboxylicacid, 5-chloro-4-nitro-, with CAS registry number 89166-85-8, belongs to the following product category: API intermediates. It has the systematic name of 5-chloro-4-nitrothiophene-2-carboxylic acid. And the chemical formula of this chemical is C₅H₂ClNO₄S.

Physical properties of 2-Thiophenecarboxylicacid, 5-chloro-4-nitro-: (1)ACD/LogP: 2.77; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 111.36 Å²; (11)Index of Refraction: 1.669; (12)Molar Refractivity: 43.008 cm³; (13)Molar Volume: 115.235 cm³; (14)Polarizability: 17.05×10^-24cm³; (15)Surface Tension: 79.334 dyne/cm; (16)Density: 1.801 g/cm³; (17)Flash Point: 189.911 °C; (18)Enthalpy of Vaporization: 67.488 kJ/mol; (19)Boiling Point: 390.406 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(sc1Cl)C(O)=O
(2)InChI: InChI=1/C5H2ClNO4S/c6-4-2(7(10)11)1-3(12-4)5(8)9/h1H,(H,8,9)
(3)InChIKey: FZKDYXWPDMALDM-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H2ClNO4S/c6-4-2(7(10)11)1-3(12-4)5(8)9/h1H,(H,8,9)
(5)Std. InChIKey: FZKDYXWPDMALDM-UHFFFAOYSA-N

Product Name

5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID

2-Thiophenecarboxylicacid, 5-chloro-4-nitro- Specification

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