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CAS No.: | 16932-49-3 | ||||||||
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Name: | 2,6-DIMETHOXYBENZONITRILE | ||||||||
Article Data: | 25 | ||||||||
Molecular Structure: | |||||||||
Formula: | C9H9 N O2 | ||||||||
Molecular Weight: | 163.176 | ||||||||
Synonyms: | 2,6-Dimethoxybenzonitrile;2-Cyano-3-methoxyanisole; NSC 27017 | ||||||||
EINECS: | 241-000-2 | ||||||||
Density: | 1.12g/cm3 | ||||||||
Melting Point: | 119-123 °C | ||||||||
Boiling Point: | 310 °C | ||||||||
Flash Point: | 128.8°C | ||||||||
Appearance: | white to light yellow crystal powder | ||||||||
Hazard Symbols: | |||||||||
Risk Codes: | 20/21/22 | ||||||||
Safety: |
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PSA: | 42.25000 | ||||||||
LogP: | 1.57548 |
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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
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. |
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