Acetanilide-D<sub>6</sub> supplier

Name
ACETANILIDE-D6
EINECS
CAS No. 141801-46-9
Density 1.153 g/cm³
Solubility
Melting Point 112-115 °C
Formula C₈H₃D₆NO
Boiling Point 304.5 °C at 760 mmHg
Molecular Weight 141.2
Flash Point 173.946 °C
Transport Information
Appearance White crystalline solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-deuterio-N-(2,3,4,5,6-pentadeuteriophenyl)acetamide;
PSA 32.59000
LogP 2.29450

Acetanilide-D₆ Specification

The Acetanilide-D6, with the CAS registry number 141801-46-9, belongs to the product categories of Aromatics Compounds; Aromatics; Isotope Labeled Compounds. This chemical's molecular formula is C₈H₃D₆NO. Its systematic name is called N-deuterio-N-(2,3,4,5,6-pentadeuteriophenyl)acetamide.

Physical properties of Acetanilide-D6: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.241; (3)ACD/LogD (pH 7.4): 1.241; (4)ACD/BCF (pH 5.5): 5.167; (5)ACD/BCF (pH 7.4): 5.167; (6)ACD/KOC (pH 5.5): 112.761; (7)ACD/KOC (pH 7.4): 112.762; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 40.525 cm³; (13)Molar Volume: 122.516 cm³; (14)Surface Tension: 41.529 dyne/cm; (15)Density: 1.153 g/cm³; (16)Flash Point: 173.946 °C; (17)Enthalpy of Vaporization: 54.487 kJ/mol; (18)Boiling Point: 304.5 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1c(c(c(c(c1[2H])[2H])N([2H])C(=O)C)[2H])[2H]
(2)InChI: InChI=1/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)/i2D,3D,4D,5D,6D/hD
(3)InChIKey: FZERHIULMFGESH-TYSUPAQWEK

Product Name

ACETANILIDE-D6

Acetanilide-D₆ Specification

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ACETANILIDE-D6

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Acetanilide-D₆ Specification