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3,4-Dihydroxybenzonitrile

3,4-Dihydroxybenzonitrile structure

CAS No:
17345-61-8
Formula:
C7H5NO2
Chemical Name:
3,4-Dihydroxybenzonitrile
Synonyms:
Benzonitrile,3,4-dihydroxy-;Protocatechunitrile;3,4-Dihydroxybenzonitrile;4-Cyanopyrocatechol;4-Cyano-1,2-dihydroxybenzene;4-Cyanobenzene-1,2-diol;4-Cyanocatechol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,4-Dihydroxybenzonitrile Basic Attributes

Molecular Weight：

135.12000

Exact Mass：

135.12

EC Number：

241-367-9

DSSTox ID：

DTXSID50169616

HScode：

2926909090

Characteristics

PSA：

64.25000

XLogP3：

0.96948

Appearance：

white or white like crystalline powder

Density：

1.42g/cm3

Melting Point：

154-156ºC

Boiling Point：

334.8ºC

Flash Point：

156.3ºC

Refractive Index：

1.647

Water Solubility：

insoluble

Vapor Pressure：

6.43E-05mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3439

wgk germany：

hazard class code：

R20/21/22; R36/37/38

safety instructions：

S22-S26-S36/37/39

Marks：

GHS Classification：

|Warning|H302 (95.65%): 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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,4-dihydroxybenzonitrile

Computed Properties

Molecular Weight:135.12
XLogP3:1.5
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:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-Dihydroxybenzonitrile

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Recommended Suppliers
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