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CAS No.: | 175137-49-2 |
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Name: | 5-CHLORO-4-METHOXYTHIOPHENE-3-CARBONYL CHLORIDE |
Molecular Structure: | |
Formula: | C6H4Cl2O2S |
Molecular Weight: | 211.069 |
Synonyms: | 5-CHLORO-4-METHOXYTHIOPHENE-3-CARBONYL CHLORIDE;2-Chloro-3-methoxythiophene-4-carbonyl chloride;3-Thiophenecarbonyl chloride, 5-chloro-4-methoxy- (9CI);5-CHLORO-4-METHOXYTHIOPHENE-3-CARBONYLCH |
Density: | 1.494 g/cm3 |
Melting Point: | 66 °C |
Boiling Point: | 281.7 °C at 760 mmHg |
Flash Point: | 124.2 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi,C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3261 |
PSA: | 54.54000 |
LogP: | 2.78910 |
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This chemical is called 3-Thiophenecarbonylchloride, 5-chloro-4-methoxy-, and its systematic name is 5-chloro-4-methoxythiophene-3-carbonyl chloride. With the molecular formula of C6H4Cl2O2S, its molecular weight is 211.07. The CAS registry number of this chemical is 175137-49-2. Additionally, its product categories are Acidhalide; Thiophene & Benzothiophene.
Other characteristics of the 3-Thiophenecarbonylchloride, 5-chloro-4-methoxy- can be summarised as followings: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 40.16; (6)ACD/BCF (pH 7.4): 40.16; (7)ACD/KOC (pH 5.5): 489.37; (8)ACD/KOC (pH 7.4): 489.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 46.45 cm3; (15)Molar Volume: 141.2 cm3; (16)Polarizability: 18.41×10-24cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.494 g/cm3; (19)Flash Point: 124.2 °C; (20)Enthalpy of Vaporization: 52.05 kJ/mol; (21)Boiling Point: 281.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00351 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting 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(Cl)=O)c1OC
2.InChI: InChI=1/C6H4Cl2O2S/c1-10-4-3(5(7)9)2-11-6(4)8/h2H,1H3
3.InChIKey: ZLLVFNBZGFSCKR-UHFFFAOYAJ