3,4-Dimethoxybenzonitrile
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3,4-Dimethoxybenzonitrile
structure -
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CAS No:
2024-83-1
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Formula:
C9H9NO2
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Chemical Name:
3,4-Dimethoxybenzonitrile
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Synonyms:
Benzonitrile,3,4-dimethoxy-;Veratronitrile;3,4-Dimethoxybenzonitrile;1-Cyano-3,4-dimethoxybenzene;4-Cyano-2-methoxyanisole;NSC 209526;NSC 27016
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CAS No:
Characteristics
42.25000
1.57
white to light yellow crystal
1.1±0.1 g/cm3
66-67 °C
266.2±25.0 °C at 760 mmHg
107.5±16.4 °C
1.520
0.00877mmHg at 25°C
Safety Information
III
6.1
3276
3
R20/21/22
S26-S36
DI4355000
Xn:Harmful;
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Warning|H302 (97.67%): 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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:163.17
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:163.063328530
Monoisotopic Mass:163.063328530
Topological Polar Surface Area:42.2
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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