-
Name
2,6-DIMETHOXYBENZONITRILE
- EINECS 241-000-2
- CAS No. 16932-49-3
- Article Data25
- CAS DataBase
- Density 1.12g/cm3
- Solubility
- Melting Point 119-123 °C
- Formula C9H9 N O2
- Boiling Point 310 °C
- Molecular Weight 163.176
- Flash Point 128.8°C
- Transport Information
- Appearance white to light yellow crystal powder
-
Safety
Hazard Codes Xn Risk Statements 20/21/22 Safety Statements 36/37 Hazard Note Irritant - Risk Codes 20/21/22
-
Molecular Structure
-
Hazard Symbols
- Synonyms 2,6-Dimethoxybenzonitrile;2-Cyano-3-methoxyanisole; NSC 27017
- PSA 42.25000
- LogP 1.57548
2,6-Dimethoxybenzonitrile Chemical Properties
Molecular Structure of 2,6-Dimethoxybenzonitrile (CAS No.16932-49-3):
Molecular Formula: C9H9NO2
Molecular Weight: 163.1733
IUPAC Name: 2,6-Dimethoxybenzonitrile
CAS No: 16932-49-3
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 42.25 Å2
Index of Refraction: 1.519
Molar Refractivity: 44.05 cm3
Molar Volume: 144.9 cm3
Surface Tension: 42.5 dyne/cm
Density: 1.12 g/cm3
Flash Point: 128.8 °C
Enthalpy of Vaporization: 54.73 kJ/mol
Boiling Point: 306.7 °C at 760 mmHg
Vapour Pressure: 0.000758 mmHg at 25°C
InChI: InChI=1/C9H9NO2 /c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,1-2H3
InChIKey: XHAHKSSLDJIEDH-UHFFFAOYAD
Std. InChI: InChI=1S/C9H9NO2 /c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,1-2H3
Std. InChIKey: XHAHKSSLDJIEDH-UHFFFAOYSA-N
Synonyms of 2,6-Dimethoxybenzonitrile (CAS No.16932-49-3): 2,6-Dimethoxybenzonitrile ; Benzonitrile, 2,6-dimethoxy-
Product Categories: Aromatic Nitriles
2,6-Dimethoxybenzonitrile Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD | oral | > 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 17, 1953. |
2,6-Dimethoxybenzonitrile Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37-36-26
S36/37:Wear suitable protective clothing and gloves.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Hazard Note: Irritant
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