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Name

2,6-Dimethoxybenzonitrile

EINECS

241-000-2

CAS No.

16932-49-3

Density

1.12g/cm³

PSA

42.25000

LogP

1.57548

Solubility

N/A

Melting Point

119-123 °C

Formula

C9H9 N O2

Boiling Point

310 °C

Molecular Weight

163.176

Flash Point

128.8°C

Transport Information

N/A

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

Article Data

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: Harmful Xn, Irritant 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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