2,3-Dimethoxybenzonitrile
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2,3-Dimethoxybenzonitrile
structure -
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CAS No:
5653-62-3
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Formula:
C9H9NO2
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Chemical Name:
2,3-Dimethoxybenzonitrile
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Synonyms:
Benzonitrile,2,3-dimethoxy-;o-Veratronitrile;2,3-Dimethoxybenzonitrile;NSC 27018
- Categories:
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CAS No:
2,3-Dimethoxybenzonitrile Basic Attributes
163.176
163.17
227-097-4
G1TE317GHW
27018
DTXSID10205089
2926909090
Characteristics
42.2
1.3
1.1±0.1 g/cm3
47 °C
195 °C @ Press: 2 Torr
106.6±16.4 °C
1.520
Insoluble in water.
Safety Information
Ⅲ
6.1
3439
3
6.1
S26-S36
DI4355000
Xn:Harmful;
Stable. Incompatible with strong bases, strong acids, strong oxidizing agents.
P261-P280-P305 + P351 + P338
H302 + H312 + H332-H315-H319-H335
|Warning|H302 (100%): 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 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:163.17
XLogP3:1.3
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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