Products Categories
CAS No.: | 18791-99-6 |
---|---|
Name: | 4-Bromothiophene-2-carbonitrile |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C5H2BrNS |
Molecular Weight: | 188.048 |
Synonyms: | 2-Cyano-4-bromothiophene;4-Bromo-2-cyanothiophene;4-Bromo-2-thiophenecarbonitrile; |
Density: | 1.826 g/cm3 |
Melting Point: | 47.0 to 51.0 °C |
Boiling Point: | 230.383 °C at 760 mmHg |
Flash Point: | 93.133 °C |
Hazard Symbols: | Xi,Xn |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 26-39 |
PSA: | 52.03000 |
LogP: | 2.38228 |
What can I do for you?
Get Best Price
This chemical is called 2-Thiophenecarbonitrile, 4-bromo-, and its systematic name is 4-bromothiophene-2-carbonitrile. With the molecular formula of C5H2BrNS, its molecular weight is 188.05. The CAS registry number of this chemical is 18791-99-6. Additionally, its product categories are Blocks; Bromides; Carboxes; Heterocycles.
Other characteristics of the 2-Thiophenecarbonitrile, 4-bromo- can be summarised as followings: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 52.03 Å2; (7)Index of Refraction: 1.642; (8)Molar Refractivity: 37.183 cm3; (9)Molar Volume: 102.964 cm3; (10)Polarizability: 14.74×10-24cm3; (11)Surface Tension: 62.024 dyne/cm; (12)Density: 1.826 g/cm3; (13)Flash Point: 93.133 °C; (14)Enthalpy of Vaporization: 46.702 kJ/mol; (15)Boiling Point: 230.383 °C at 760 mmHg; (16)Vapour Pressure: 0.066 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1cc(Br)cs1
2.InChI: InChI=1/C5H2BrNS/c6-4-1-5(2-7)8-3-4/h1,3H
3.InChIKey: DJYVXBJLHPKUKS-UHFFFAOYAO