CAS No.5312-97-0,2,5-DIMETHOXYBENZONITRILE Suppliers,MSDS download

Products Categories

Pharmaceutical (31)
Organic Chemicals (11)
Others (10)
Reagent (2)

Basic Information

Molecular Structure:
CAS No.:	5312-97-0
Name:	2,5-DIMETHOXYBENZONITRILE
Article Data:	29

Formula:	C₉H₉NO₂
Molecular Weight:	163.176
Synonyms:	2,5-Dimethoxybenzonitrile;2-Cyano-4-methoxyanisole;NSC 27019;
EINECS:	226-169-2
Density:	1.12g/cm³
Melting Point:	81-85 °C(lit.)
Boiling Point:	288.8 °C at 760 mmHg
Flash Point:	119.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37
PSA:	42.25000
LogP:	1.57548

Total:51 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

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)

What can I do for you?
Get Best Price

Get Best Price for 5312-97-0

Specification

The Benzonitrile,2,5-dimethoxy-, with CAS registry number 5312-97-0, belongs to the following product categories: (1)Aromatic Nitriles; (2)Anisoles, Alkyloxy Compounds & Phenylacetates; (3)Nitriles; (4)C8 to C9; (5)Cyanides/Nitriles; (6)Nitrogen Compounds. It has the systematic name of 2,5-dimethoxybenzonitrile. And the chemical formula of this chemical is C₉H₉NO₂. What's more, its EINECS is 226-169-2.

Physical properties of Benzonitrile,2,5-dimethoxy-: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.79; (6)ACD/BCF (pH 7.4): 11.79; (7)ACD/KOC (pH 5.5): 203.53; (8)ACD/KOC (pH 7.4): 203.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.25 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 44.05 cm³; (15)Molar Volume: 144.9 cm³; (16)Polarizability: 17.46×10^-24cm³; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.12 g/cm³; (19)Flash Point: 119.4 °C; (20)Enthalpy of Vaporization: 52.8 kJ/mol; (21)Boiling Point: 288.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00229 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,5-dimethoxy-benzaldehyde. This reaction will need reagents NH₄OAc, nitroethane and solvent acetic acid. The reaction time is 10 hour(s).

Uses of Benzonitrile,2,5-dimethoxy-: it can be used to produce 5-hydroxy-2-methoxy-benzonitrile. The reaction will need reagents n-Bu₄NI, BCl₃ and solvent CH₂Cl₂. The reaction temperature is -78 - 20 ℃. The yield is about 87%.

When you are using this chemical, please be cautious about it as the following:
The Benzonitrile,2,5-dimethoxy- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(OC)ccc1OC
(2)InChI: InChI=1/C9H9NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,1-2H3
(3)InChIKey: HWAMEJIMXIXLIH-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H9NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,1-2H3
(5)Std. InChIKey: HWAMEJIMXIXLIH-UHFFFAOYSA-N