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

Name
3-(3',5'-DIMETHOXYPHENYL)-3-OXOPROPANENITRILE
EINECS
CAS No. 70988-04-4
Article Data2
CAS DataBase
Density 1.301g/cm³
Solubility
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
Appearance
Safety 38-28B
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3,5-Dimethoxybenzoylacetonitrile;
PSA 59.32000
LogP 1.80018

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

Product Name

3-(3',5'-DIMETHOXYPHENYL)-3-OXOPROPANENITRILE

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

Related Products

Hot Products