Acetamide,N-(phenyl-2,3,4,5,6-d5)- supplier

Name
ACETANILIDE-2,3,4,5,6-D5
EINECS 239-928-8
CAS No. 15826-91-2
Article Data21
CAS DataBase
Density 1.144 g/cm³
Solubility
Melting Point 113-115 °C(lit.)
Formula C₈H₄D₅NO
Boiling Point 304.5 °C at 760 mmHg
Molecular Weight 140.126
Flash Point 173.9 °C
Transport Information
Appearance
Safety 22-26-36
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Acetanilide-2',3',4',5',6'-d5 (8CI);Acetamide,N-(phenyl-d5)- (9CI);acetamide, N-(phenyl-d5)-;N-(2H5)Phenylacetamide;
PSA 29.10000
LogP 1.71800

Acetamide,N-(phenyl-2,3,4,5,6-d5)- Specification

The Acetamide,N-(phenyl-2,3,4,5,6-d5)-, with the CAS registry number 15826-91-2 and EINECS registry number 239-928-8, has the systematic name of N-(²H₅)phenylacetamide. It is also called 2',3',4',5',6'-Pentadeuteroacetanilide. And the molecular formula of this chemical is C₈H₄D₅NO.

The physical properties of Acetamide,N-(phenyl-2,3,4,5,6-d5)- are as following: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.91; (6)ACD/BCF (pH 7.4): 3.91; (7)ACD/KOC (pH 5.5): 92.44; (8)ACD/KOC (pH 7.4): 92.44; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 40.52 cm³; (15)Molar Volume: 122.5 cm³; (16)Polarizability: 16.06×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.144 g/cm³; (19)Flash Point: 173.9 °C; (20)Enthalpy of Vaporization: 54.49 kJ/mol; (21)Boiling Point: 304.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000871 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swllowed. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1c([2H])c([2H])c([2H])c([2H])c1[2H])C
(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
(3)InChIKey: FZERHIULMFGESH-VIQYUKPQEI

Product Name

ACETANILIDE-2,3,4,5,6-D5

Acetamide,N-(phenyl-2,3,4,5,6-d5)- Specification

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