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18895-10-8

Basic Information
CAS No.: 18895-10-8
Name: 4-BROMO-3-CYANOTHIOPHENE
Article Data: 1
Molecular Structure:
Molecular Structure of 18895-10-8 (4-BROMO-3-CYANOTHIOPHENE)
Formula: C5H2BrNS
Molecular Weight: 188.048
Synonyms: 3-Bromo-4-thiophenecarbonitrile;4-Bromo-3-thiophenecarbonitrile;
Density: 1.82 g/cm3
Melting Point: 58-62°C
Boiling Point: 289.1 °C at 760 mmHg
Flash Point: 128.7 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety: 26-36/37/39
PSA: 52.03000
LogP: 2.38228
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Specification

The 3-Thiophenecarbonitrile,4-bromo-, with the CAS registry number 18895-10-8, is also known as 4-Bromo-3-thiophenecarbonitrile. It belongs to the product categories of Cyano; Organohalides; Thiophene. This chemical's molecular formula is C5H2BrNS and molecular weight is 188.04508. What's more, its systematic name is called 4-Bromothiophene-3-carbonitrile. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 3-Thiophenecarbonitrile,4-bromo- are: (1) ACD/LogP: 1.86; (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: 1.641; (8) Molar Refractivity: 37.18 cm3; (9) Molar Volume: 102.9 cm3; (10) Surface Tension: 62 dyne/cm; (11) Density: 1.82 g/cm3; (12) Flash Point: 128.7 °C; (13) Enthalpy of Vaporization: 52.84 kJ/mol; (14) Boiling Point: 289.1 °C at 760 mmHg; (15) Vapour Pressure: 0.00224 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cscc1Br
(2) InChI: InChI=1/C5H2BrNS/c6-5-3-8-2-4(5)1-7/h2-3H
(3) InChIKey: RTOSSMAWCKNWFX-UHFFFAOYAS