5-CHLORO-2-HYDROXYBENZONITRILE
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5-CHLORO-2-HYDROXYBENZONITRILE
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CAS No:
13589-72-5
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Formula:
C7H4ClNO
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Chemical Name:
5-CHLORO-2-HYDROXYBENZONITRILE
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Synonyms:
5-CHLORO-2-HYDROXYBENZONITRILE;AKOS B029245;5-Chloro-2-hydroxybenzonitrile, tech;4-Chloro-2-cyanophenol;4-Chloro-2-cyanophenol, 5-Chlorosalicylonitrile;Benzonitrile, 5-chloro-2-hydroxy-;2-Hydroxy-5-chlorobenzonitrile;5-Chlorosalicylonitrile
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CAS No:
Characteristics
44
2.7
1.41±0.1 g/cm3(Predicted)
152-154°C
269.4±25.0 °C(Predicted)
116.7±23.2 °C
1.611
0.00438mmHg at 25°C
Safety Information
3276
20/21/22-36/37/38-36
26-36/37/39
Xi
P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501
H302+H312
5-CHLORO-2-HYDROXYBENZONITRILE Use and Manufacturing
Reference Step SStep S23 g of 5-chloro-2-hydroxybenzaldehyde oxime was added to 190 mlAcetic anhydride, heated to reflux for 2 hours, concentrated, the residue was poured into ice water, ethyl acetate extraction and liquid separation, the organic phase was collected, dried, concentrated, and the column was separated to give 16g5-chloro-2-hydroxybenzonitrile.
Computed Properties
Molecular Weight:153.56
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:152.9981414
Monoisotopic Mass:152.9981414
Topological Polar Surface Area:44
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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