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3,5-Dihydroxybenzonitrile

3,5-Dihydroxybenzonitrile structure

CAS No:
19179-36-3
Formula:
C7H5NO2
Chemical Name:
3,5-Dihydroxybenzonitrile
Synonyms:
Benzonitrile,3,5-dihydroxy-;α-Resorcylonitrile;3,5-Dihydroxybenzonitrile;5-Cyanoresorcinol

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3,5-Dihydroxybenzonitrile Basic Attributes

Molecular Weight：

135.12

Exact Mass：

135.12

EC Number：

242-859-6

DSSTox ID：

DTXSID00172711

HScode：

2926909090

Characteristics

PSA：

64.25000

XLogP3：

0.96948

Appearance：

white to light yellow crystal

Density：

1.3124

Melting Point：

190-193°C

Boiling Point：

248.79°C (rough estimate)

Flash Point：

157.2ºC

Refractive Index：

1.5800 (estimate)

Water Solubility：

Soluble in water.

Vapor Pressure：

5.78E-05mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

hazard class code：

20/22-36/37/38

safety instructions：

26-36/37/39

Marks：

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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:135.12
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:135.032028402
Monoisotopic Mass:135.032028402
Topological Polar Surface Area:64.2
Heavy Atom Count:10
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,5-Dihydroxybenzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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