Acetic acid,2-thiocyanato-, nonyl ester supplier

Name
nonyl thiocyanatoacetate
EINECS
CAS No. 5327-03-7
Density 1.024 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₁NO₂S
Boiling Point 339.9 °C at 760 mmHg
Molecular Weight 243.37
Flash Point 159.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, thiocyanato-, nonyl ester (9CI);NSC 4101;Nonyl 2-thiocyanatoacetate;Nonyl thiocyanatoacetate;AC1L59CA;AC1Q4SQ0;AR-1K7960;CID220797;
PSA
LogP

Acetic acid,2-thiocyanato-, nonyl ester Specification

The Acetic acid,2-thiocyanato-, nonyl ester with CAS registry number of 5327-03-7 is also known as Nonyl thiocyanatoacetate. The IUPAC name is Nonyl 2-thiocyanatoacetate. In addition, the formula is C₁₂H₂₁NO₂S and the molecular weight is 243.37.

Physical properties about Acetic acid,2-thiocyanato-, nonyl ester are: (1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 75.39Å²; (7)Index of Refraction: 1.478; (8)Molar Refractivity: 67.32 cm³; (9)Molar Volume: 237.4 cm³; (10)Polarizability: 26.69×10^-24cm³; (11)Surface Tension: 38.9 dyne/cm; (12)Density: 1.024 g/cm³; (13)Flash Point: 159.4 °C; (14)Enthalpy of Vaporization: 58.34 kJ/mol; (15)Boiling Point: 339.9 °C at 760 mmHg; (16)Vapour Pressure: 8.92E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: N#CSCC(=O)OCCCCCCCCC
2. InChI: InChI=1/C12H21NO2S/c1-2-3-4-5-6-7-8-9-15-12(14)10-16-11-13/h2-10H2,1H3
3. InChIKey: SIHOUGOBKTZDCZ-UHFFFAOYAD
4. Std. InChI: InChI=1S/C12H21NO2S/c1-2-3-4-5-6-7-8-9-15-12(14)10-16-11-13/h2-10H2,1H3
5. Std. InChIKey: SIHOUGOBKTZDCZ-UHFFFAOYSA-N

Product Name

nonyl thiocyanatoacetate

Acetic acid,2-thiocyanato-, nonyl ester Specification

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