CAS No.10401-11-3,3-Hydroxyphenylacetylene Suppliers,MSDS download

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Basic Information

CAS No.:

10401-11-3

Name:

3-Hydroxyphenylacetylene

Article Data:

Molecular Structure:

Formula:

C8H6 O

Molecular Weight:

118.135

Synonyms:

Phenol,m-ethynyl- (7CI,8CI); 3-Ethynylphenol; 3-Hydroxy-1-ethynylbenzene;3-Hydroxyphenylacetylene; m-Ethynylphenol; m-Hydroxyethynylbenzene

Density:

1.12g/cm³

Melting Point:

64-66 °C

Boiling Point:

230.9°Cat760mmHg

Flash Point:

106.1°C

Appearance:

Clear yellow liquid

Hazard Symbols:

Risk Codes:

22-41-52/53

Safety:

Hazard Codes	Xn
Risk Statements	22-41-52/53
Safety Statements	26-37/39
RIDADR	2810
WGK Germany	2

PSA:

20.23000

LogP:

1.37350

Synthetic route

: 3-(2-triisopropylsilylethynyl)phenol

: 10401-11-3
3-hydroxy phenylacetylene

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;	95%

: 388061-72-1
3-[2-(trimethylsilylethynyl)]phenol

: 10401-11-3
3-hydroxy phenylacetylene

Conditions

Conditions	Yield
With methanol; potassium hydroxide In tetrahydrofuran at 20℃; for 10h; Inert atmosphere;	88%
Stage #1: 3-[2-(trimethylsilylethynyl)]phenol With potassium hydroxide In tetrahydrofuran; methanol; water for 2h; Stage #2: With hydrogenchloride In tetrahydrofuran; methanol; water	70%
With potassium carbonate In methanol at 20℃; for 3h; Inert atmosphere;

: 3-methyl-4-(3-hydroxyphenyl)methylene-isoxazole-5(4H)-one

: 10401-11-3
3-hydroxy phenylacetylene

Conditions

Conditions	Yield
at 800℃; under 0.000750075 Torr;	87%

: 3-(3-hydroxy-3-methylbut-1-ynyl)phenol

: 10401-11-3
3-hydroxy phenylacetylene

Conditions

Conditions	Yield
With potassium hydroxide In toluene for 3h; Heating;	43%

: 138769-95-6
(1S,2R)-3-Trimethylsilanylethynyl-cyclohexa-3,5-diene-1,2-diol

: 10401-11-3
3-hydroxy phenylacetylene

Conditions

Conditions	Yield
With potassium carbonate In methanol for 12h;

: (1R,2S)-3-Ethynyl-cyclohexa-3,5-diene-1,2-diol

A: 5101-44-0
2-ethynyl-phenol

B: 10401-11-3
3-hydroxy phenylacetylene

Conditions

Conditions	Yield
With perchloric acid at 25℃; Rate constant;

: 591-20-8
3-Bromophenol

: 10401-11-3
3-hydroxy phenylacetylene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: bis(triphenylphosphine)palladium(II) dichloride; copper(l) iodide; triethylamine / tetrahydrofuran / 24 h / 20 °C / Inert atmosphere 2: potassium carbonate / methanol / 3 h / 20 °C / Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triphenylphosphine / 1,4-dioxane / 1.33 h / 70 °C / Inert atmosphere; Microwave irradiation 2: tetrabutyl ammonium fluoride / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere View Scheme

: 100-83-4
meta-hydroxybenzaldehyde

: 10401-11-3
3-hydroxy phenylacetylene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: chloroform / 24 h / Cooling with ice; Inert atmosphere; Darkness 2: 800 °C / 0 Torr View Scheme

: 4-(3-ethynylphenoxy)-2,3,5,6-tetrafluoropyridine

: 10401-11-3
3-hydroxy phenylacetylene

Conditions

Conditions	Yield
With potassium fluoride; 18-crown-6 ether; Methyl thioglycolate In water; acetonitrile at 50℃;

: 10401-11-3
3-hydroxy phenylacetylene

: 121-71-1
3-Hydroxyacetophenone

Conditions

Conditions	Yield
With gold(III) tribromide; water at 200℃; for 0.333333h; microwave irradiation;	100%
With tropylium tetrafluoroborate; water; acetic acid at 130℃; for 1h; Catalytic behavior; Temperature; Microwave irradiation; Inert atmosphere;	92%
With trifluorormethanesulfonic acid; water In 2,2,2-trifluoroethanol at 25℃; for 24h; Sealed tube; regioselective reaction;	87%
With water at 60℃; for 20h; Sealed tube;	63%
With methanesulfonic acid; iron(II) chloride tetrahydrate In 1,2-dichloro-ethane at 60℃; for 2h; Inert atmosphere;	49%

Total:58 Page 1 of 2 1 2 Next>>

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Chemistry

Molecular Structure of 3-Ethynylphenol (CAS NO.10401-11-3):

IUPAC Name: 3-Ethynylphenol
Canonical SMILES: C#CC1=CC(=CC=C1)O
InChI: InChI=1S/C8H6O/c1-2-7-4-3-5-8(9)6-7/h1,3-6,9H
InChIKey: AODMJIOEGCBUQL-UHFFFAOYSA-N
Molecular Weight: 118.13264 [g/mol]
Molecular Formula: C₈H₆O
XLogP3: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Index of Refraction: 1.589
Molar Refractivity: 35.34 cm³
Molar Volume: 104.7 cm³
Surface Tension: 49.8 dyne/cm
Density: 1.12 g/cm³
Flash Point: 106.1 °C
Enthalpy of Vaporization: 48.65 kJ/mol
Boiling Point: 230.9 °C at 760 mmHg
Vapour Pressure: 0.0424 mmHg at 25 °C
Appearance: Clear yellow liquid

Safety Profile

Safety Information of 3-Ethynylphenol (CAS NO.10401-11-3):
Hazard Codes: Harmful Xn
Risk Statements: 22-41-52/53
R22:Harmful if swallowed.
R41:Risk of serious damage to the eyes.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: 2810
WGK Germany: 2

Specification

3-Ethynylphenol (CAS NO.10401-11-3), its Synonyms are 3-Hydroxyphenylacetylene ; Phenol, 3-ethynyl- (9CI) ; m-Hydroxyphenylacetylene ; m-Ethynylphenol ; Phenol, 3-ethynyl- .