1H-Pyrazole-4-carboxaldehyde, 3-(2-thienyl)- supplier

Name
3-(2-THIENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
EINECS
CAS No. 26033-27-2
Article Data3
CAS DataBase
Density 1.398 g/cm³
Solubility
Melting Point 63-66°C
Formula C₈H₆N₂OS
Boiling Point 429.8 °C at 760 mmHg
Molecular Weight 178.214
Flash Point 213.7 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Pyrazole-4-carboxaldehyde,3-(2-thienyl)- (8CI);3-(Thiophen-2-yl)-1H-pyrazole-4-carboxaldehyde;
PSA 73.99000
LogP 1.95070

1H-Pyrazole-4-carboxaldehyde, 3-(2-thienyl)- Specification

This chemical is called 1H-Pyrazole-4-carboxaldehyde, 3-(2-thienyl)-, and its systematic name is 3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde. With the molecular formula of C₈H₆N₂OS, its molecular weight is 178.211. The CAS registry number of this chemical is 26033-27-2.

Other characteristics of the 1H-Pyrazole-4-carboxaldehyde, 3-(2-thienyl)- can be summarised as followings: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3.4; (6)ACD/BCF (pH 7.4): 3.4; (7)ACD/KOC (pH 5.5): 83.65; (8)ACD/KOC (pH 7.4): 83.62; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.13 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 48.5 cm³; (15)Molar Volume: 127.4 cm³; (16)Polarizability: 19.22×10^-24cm³; (17)Surface Tension: 65.6 dyne/cm; (18)Density: 1.398 g/cm³; (19)Flash Point: 213.7 °C; (20)Enthalpy of Vaporization: 68.51 kJ/mol; (21)Boiling Point: 429.8 °C at 760 mmHg; (22)Vapour Pressure: 1.37E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. 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: O=Cc2cnnc2c1sccc1
2.InChI: InChI=1/C8H6N2OS/c11-5-6-4-9-10-8(6)7-2-1-3-12-7/h1-5H,(H,9,10)
3.InChIKey: DDQIKYLVCQKLHT-UHFFFAOYAG

Product Name

3-(2-THIENYL)-1H-PYRAZOLE-4-CARBALDEHYDE

1H-Pyrazole-4-carboxaldehyde, 3-(2-thienyl)- Specification

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