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3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE

3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE structure

CAS No:
1988-88-1
Formula:
C15H21NO
Chemical Name:
3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE
Synonyms:
AKOS B004237;3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE;3,5-DI-T-BUTYL-4-HYDROXYBENZONITRILE;Benzonitrile, 3,5-di-tert-butyl-4-hydroxy-;4-Cyano-2,6-di-tert-butylphenol;3,5-Bis(tert-butyl)-4-hydroxybenzonitrile;2,6-Bis(tert-butyl)-4-cyanophenol;Benzonitrile,3,5-bis(1,1-diMethylethyl)-4-hydroxy-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE Basic Attributes

Molecular Weight：

231.33

Exact Mass：

231.16200

NSC Number：

226258

DSSTox ID：

DTXSID90173636

HScode：

2926909090

Characteristics

PSA：

XLogP3：

3.85888

Density：

1.01g/cm3

Melting Point：

144 °C

Boiling Point：

311.2ºC at 760 mmHg

Flash Point：

142ºC

Refractive Index：

1.523

Vapor Pressure：

0.000313mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39-45

Marks：

Xn:Harmful;

Computed Properties

Molecular Weight:231.33
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:231.162314293
Monoisotopic Mass:231.162314293
Topological Polar Surface Area:44
Heavy Atom Count:17
Complexity:288
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE

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