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CAS No.: | 18895-10-8 |
---|---|
Name: | 4-BROMO-3-CYANOTHIOPHENE |
Article Data: | 1 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 26-36/37/39 |
PSA: | 52.03000 |
LogP: | 2.38228 |
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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