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4′-Hydroxybutyrophenone

4′-Hydroxybutyrophenone structure

CAS No:
1009-11-6
Formula:
C10H12O2
Chemical Name:
4′-Hydroxybutyrophenone
Synonyms:
1-Butanone,1-(4-hydroxyphenyl)-;Butyrophenone,4′-hydroxy-;1-(4-Hydroxyphenyl)-1-butanone;p-Butyrylphenol;4-Butyrylphenol;p-Hydroxybutyrophenone;4-Butanoylphenol;NSC 17548;1-(4-Hydroxyphenyl)butan-1-one;4′-Hydroxybutyrophenone;1-(p-Hydroxyphenyl)-1-butanone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4′-Hydroxybutyrophenone Basic Attributes

Molecular Weight：

164.2

Exact Mass：

164.20

EC Number：

213-766-8

NSC Number：

17548

DSSTox ID：

DTXSID5061405

HScode：

2914501900

Characteristics

PSA：

37.3

XLogP3：

2.4

Appearance：

white crystal

Density：

1.0435 g/cm³ @ Temp: 24 °C

Melting Point：

91 °C

Boiling Point：

200 °C @ Press: 15 Torr

Flash Point：

131.8±13.0 °C

Refractive Index：

1.535

Vapor Pressure：

0.000307mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

4′-Hydroxybutyrophenone Use and Manufacturing

Methods of Manufacturing

General procedure: Phenol (0.28 mmol) and acyl chloride (0.28 mmol) were dissolved in TfOH (3 ml) at 0 °C. The reaction mixture was warmed to room temperature for appropriate time in Table 2, then poured into cold water and ethyl acetate. The organic layer was washed with 1 M HCl, saturated NaHCO

Manufacturing Info：

1-Butanone, 1-(4-hydroxyphenyl)-: INACTIVE

Computed Properties

Molecular Weight:164.20
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1009-11-6

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Guide of 4′-Hydroxybutyrophenone

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4′-Hydroxybutyrophenone

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