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| CAS No.: | 133659-14-0 |
|---|---|
| Name: | 5-CHLORO-4-METHOXYTHIOPHENE-3-CARBOXYLIC ACID |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5ClO3S |
| Molecular Weight: | 192.623 |
| Synonyms: | 2-Chloro-3-methoxythiophene-4-carboxylicacid;5-Chloro-4-methoxythiophene-3-carboxylic acid; |
| Density: | 1.511g/cm3 |
| Melting Point: | 140 °C |
| Boiling Point: | 309.6 °C at 760 mmHg |
| Flash Point: | 141 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 74.77000 |
| LogP: | 2.10830 |
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Specification
The 3-Thiophenecarboxylicacid, 5-chloro-4-methoxy-, with CAS registry number 133659-14-0, has the systematic name of 5-chloro-4-methoxythiophene-3-carboxylic acid. Its molecular weight is 192.62. And the chemical formula of this chemical is C6H5ClO3S.
Physical properties of 3-Thiophenecarboxylicacid, 5-chloro-4-methoxy-: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.21; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.77 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 43.14 cm3; (15)Molar Volume: 127.3 cm3; (16)Polarizability: 17.1×10-24cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.511 g/cm3; (19)Flash Point: 141 °C; (20)Enthalpy of Vaporization: 58.11 kJ/mol; (21)Boiling Point: 309.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000273 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 3-Thiophenecarboxylicacid, 5-chloro-4-methoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1scc(C(=O)O)c1OC
(2)InChI: InChI=1/C6H5ClO3S/c1-10-4-3(6(8)9)2-11-5(4)7/h2H,1H3,(H,8,9)
(3)InChIKey: CEOFOUVVEMMYDW-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H5ClO3S/c1-10-4-3(6(8)9)2-11-5(4)7/h2H,1H3,(H,8,9)
(5)Std. InChIKey: CEOFOUVVEMMYDW-UHFFFAOYSA-N