Thiocyanic acid,2-(4-bromophenyl)-2-oxoethyl ester supplier

Name
P-BROMOPHENACYL-8 P-BROMOPHENACYL BROMIDE/CROWN
EINECS 604-604-1
CAS No. 65679-14-3
Article Data30
CAS DataBase
Density 1.59 g/cm³
Solubility
Melting Point 148-149 °C
Formula C₉H₆BrNOS
Boiling Point 400.8 °C at 760 mmHg
Molecular Weight 256.123
Flash Point 196.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Thiocyanicacid, p-bromophenacyl ester (7CI);1-(4-Bromophenyl)-2-thiocyanatoethanone;4-Bromophenacyl thiocyanate;NSC 56358;p-Bromophenacyl thiocyanate;
PSA 66.16000
LogP 2.84608

Thiocyanic acid,2-(4-bromophenyl)-2-oxoethyl ester Specification

The Thiocyanic acid, 2-(4-bromophenyl)-2-oxoethyl ester, with the CAS registry number 65679-14-3, is also known as 4-Bromophenacyl thiocyanate. This chemical's molecular formula is C₉H₆BrNOS and molecular weight is 256.119. What's more, its IUPAC name is [2-(4-Bromophenyl)-2-oxoethyl] thiocyanate. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Thiocyanic acid, 2-(4-bromophenyl)-2-oxoethyl ester are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 66.16 Å²; (7)Index of Refraction: 1.619; (8)Molar Refractivity: 56.51 cm³; (9)Molar Volume: 161 cm³; (10)Polarizability: 22.4×10^-24 cm³; (11)Surface Tension: 56.6 dyne/cm; (12)Density: 1.59 g/cm³; (13)Flash Point: 196.2 °C; (14)Enthalpy of Vaporization: 65.17 kJ/mol; (15)Boiling Point: 400.8 °C at 760 mmHg; (16)Vapour Pressure: 1.24E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Br)cc1)CSC#N
(2) InChI: InChI=1/C9H6BrNOS/c10-8-3-1-7(2-4-8)9(12)5-13-6-11/h1-4H,5H2
(3) InChIKey: PIXLLQKMZXDTOU-UHFFFAOYAH

Product Name

P-BROMOPHENACYL-8 P-BROMOPHENACYL BROMIDE/CROWN

Thiocyanic acid,2-(4-bromophenyl)-2-oxoethyl ester Specification

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