2-Thiophenecarbonitrile, 4-bromo- supplier

Name
4-Bromothiophene-2-carbonitrile
EINECS
CAS No. 18791-99-6
Article Data21
CAS DataBase
Density 1.826 g/cm³
Solubility
Melting Point 47.0 to 51.0 °C
Formula C₅H₂BrNS
Boiling Point 230.383 °C at 760 mmHg
Molecular Weight 188.048
Flash Point 93.133 °C
Transport Information
Appearance
Safety 26-39
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms 2-Cyano-4-bromothiophene;4-Bromo-2-cyanothiophene;4-Bromo-2-thiophenecarbonitrile;
PSA 52.03000
LogP 2.38228

2-Thiophenecarbonitrile, 4-bromo- Specification

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

Product Name

4-Bromothiophene-2-carbonitrile

2-Thiophenecarbonitrile, 4-bromo- Specification

Related Products

Hot Products