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2-Methoxybenzonitrile

2-Methoxybenzonitrile structure

CAS No:
6609-56-9
Formula:
C8H7NO
Chemical Name:
2-Methoxybenzonitrile
Synonyms:
Benzonitrile,2-methoxy-;o-Anisonitrile;2-Methoxybenzonitrile;o-Methoxybenzonitrile;o-Cyanoanisole;2-Cyanoanisole;2-(Methyloxy)benzonitrile
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Colorless liquid

2-Methoxybenzonitrile Basic Attributes

Molecular Weight：

133.15

Exact Mass：

133.15

BRN：

2207134

EC Number：

229-559-0

DSSTox ID：

DTXSID10216291

HScode：

2926909090

Characteristics

PSA：

XLogP3：

1.5

Appearance：

Clear colorless to pale yellow Liquid

Density：

1.107 g/cm³ @ Temp: 20 °C

Melting Point：

24.5 °C

Boiling Point：

255.5 °C

Flash Point：

>230 °F

Refractive Index：

1.527

Storage Conditions：

Room temperature.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-methoxybenzonitrile

2-Methoxybenzonitrile Use and Manufacturing

Methods of Manufacturing

Diazotize the o-aminoanisole with sodium nitrite to make a diazonium salt solution, add it to the lead cyanide solution, and add benzene. After the mixture is placed for 10-15 hours, steam distillation is performed. The benzene layer is separated from the distillate, dried with calcium chloride and evaporated to remove benzene. The remainder is distilled under reduced pressure to collect the 120-122.5°C (1.2kPa fraction) Methoxybenzonitrile, the yield is 64.5-67.3%.

Uses

Used in organic synthesis.

Computed Properties

Molecular Weight:133.15
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:133.052763847
Monoisotopic Mass:133.052763847
Topological Polar Surface Area:33
Heavy Atom Count:10
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

2-Methoxyaniline

Dimethylformamide

Urea

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CAS No.: 6609-56-9

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