Basic Information | Post buying leads | Suppliers |
Name |
2-Thiophenecarboxylicacid, 5-chloro-4-nitro- |
EINECS | 604-604-1 |
CAS No. | 89166-85-8 | Density | 1.801g/cm3 |
PSA | 111.36000 | LogP | 2.53110 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H2ClNO4S | Boiling Point | 390.406 °C at 760 mmHg |
Molecular Weight | 207.594 | Flash Point | 189.911 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 7/47-36/37 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | N/A | |
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% |
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