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2-Hydroxy-5-nitrobenzonitrile

2-Hydroxy-5-nitrobenzonitrile structure

CAS No:
39835-09-1
Formula:
C7H4N2O3
Chemical Name:
2-Hydroxy-5-nitrobenzonitrile
Synonyms:
Benzonitrile,2-hydroxy-5-nitro-;Salicylonitrile,5-nitro-;2-Hydroxy-5-nitrobenzonitrile;2-Cyano-4-nitrophenol;4-Nitro-2-cyanophenol

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2-Hydroxy-5-nitrobenzonitrile Basic Attributes

Molecular Weight：

164.12

Exact Mass：

164.12

DSSTox ID：

DTXSID40455712

HScode：

2926909090

Characteristics

PSA：

89.84000

XLogP3：

1.69528

Density：

1.49

Melting Point：

197 °C

Boiling Point：

345℃

PKA：

3.97±0.22

Safety Information

GHS Classification：

|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:164.12
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:164.02219199
Monoisotopic Mass:164.02219199
Topological Polar Surface Area:89.8
Heavy Atom Count:12
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Hydroxy-5-nitrobenzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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