4-Hydroxy-3-methoxybenzonitrile
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4-Hydroxy-3-methoxybenzonitrile
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CAS No:
4421-08-3
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Formula:
C8H7NO2
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Chemical Name:
4-Hydroxy-3-methoxybenzonitrile
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Synonyms:
Benzonitrile,4-hydroxy-3-methoxy-;Vanillonitrile;4-Hydroxy-3-methoxybenzonitrile;3-Methoxy-4-hydroxybenzonitrile;4-Cyano-2-methoxyphenol;2-Methoxy-4-cyanophenol;NSC 158285
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CAS No:
4-Hydroxy-3-methoxybenzonitrile Basic Attributes
149.149
149.15
224-589-0
158285
DTXSID20196070
2926909090
Characteristics
53.2
0.5
beige crystalline powder
1.2±0.1 g/cm3
86 °C
291.6±30.0 °C at 760 mmHg
130.1±24.6 °C
1.569
Safety Information
III
6.1
3439
3
R20/21/22;R36/37/38
S26-S37/39-S36/37/39
Xn:Harmful;
P261-P280-P305 + P351 + P338
H302 + H312 + H332-H315-H319-H335
|Warning|H302 (97.73%): 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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:149.15
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:149.047678466
Monoisotopic Mass:149.047678466
Topological Polar Surface Area:53.2
Heavy Atom Count:11
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes