Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzenepropanenitrile,3,5-dimethoxy-b-oxo-

Related Products

Hot Products

Name

Benzenepropanenitrile,3,5-dimethoxy-b-oxo-

EINECS N/A
CAS No. 70988-04-4 Density 1.301g/cm3
PSA 59.32000 LogP 1.80018
Solubility N/A Melting Point 121-123°C
Formula C11H17NO4S Boiling Point 452.4 °C at 760 mmHg
Molecular Weight 205.213 Flash Point 227.4 °C
Transport Information N/A Appearance N/A
Safety 38-28B Risk Codes 22
Molecular Structure Molecular Structure of 70988-04-4 (3-(3',5'-DIMETHOXYPHENYL)-3-OXOPROPANENITRILE) Hazard Symbols HarmfulXn
Synonyms

3,5-Dimethoxybenzoylacetonitrile;

Article Data 2

Benzenepropanenitrile,3,5-dimethoxy-b-oxo- Specification

The Benzenepropanenitrile,3,5-dimethoxy-b-oxo-, with CAS registry number 70988-04-4, has the systematic name of N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide. This chemical is a kind of white to off-white crystalline powder or chunks. This chemical is harmful if swallowed. In case of insufficient ventilation, you shoul wear suitable respiratory equipment.

Physical properties of Benzenepropanenitrile,3,5-dimethoxy-b-oxo-: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.49; (6)ACD/BCF (pH 7.4): 3.49; (7)ACD/KOC (pH 5.5): 85.21; (8)ACD/KOC (pH 7.4): 85.21; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 64.22 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 65.66 cm3; (15)Molar Volume: 199.2 cm3; (16)Polarizability: 26.03×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.301 g/cm3; (19)Flash Point: 227.4 °C; (20)Enthalpy of Vaporization: 74.98 kJ/mol; (21)Boiling Point: 452.4 °C at 760 mmHg; (22)Vapour Pressure: 5.69E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)N(CCO)CCO
(2)InChI: InChI=1/C11H17NO4S/c1-10-2-4-11(5-3-10)17(15,16)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
(3)InChIKey: NHFJDXPINIIUQG-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H17NO4S/c1-10-2-4-11(5-3-10)17(15,16)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
(5)Std. InChIKey: NHFJDXPINIIUQG-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 70988-04-4