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2-Methoxy-5-methylbenzonitrile

2-Methoxy-5-methylbenzonitrile structure

CAS No:
53078-70-9
Formula:
C9H9NO
Chemical Name:
2-Methoxy-5-methylbenzonitrile
Synonyms:
2-Methoxy-5-methyl-benzonitril; 2-methoxy-5-methyl-benzonitrile; 3-Cyano-4-methoxytoluol; Methylaether-p-kresotinsaeure-nitril; 2-cyano-4-methylanisole; 6-Methoxy-3-methyl-benzoesaeure-nitril; Benzonitrile,2-methoxy-5-methyl;Expand

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2-Methoxy-5-methylbenzonitrile Basic Attributes

Molecular Weight：

147.17400

Exact Mass：

147.068413911

DSSTox ID：

DTXSID00396612

HScode：

2926909090

Characteristics

PSA：

33.02000

XLogP3：

1.87528

Density：

1.063g/cm3

Boiling Point：

160ºC

Flash Point：

110ºC

Refractive Index：

1.543

Safety Information

hazard class code：

R43

safety instructions：

S36/37

Marks：

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:147.17
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:33
Heavy Atom Count:11
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methoxy-5-methylbenzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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