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2-Phenyl-3-butyn-2-ol

2-Phenyl-3-butyn-2-ol structure

CAS No:
127-66-2
Formula:
C10H10O
Chemical Name:
2-Phenyl-3-butyn-2-ol
Synonyms:
Benzenemethanol,α-ethynyl-α-methyl-;3-Butyn-2-ol,2-phenyl-;Benzyl alcohol,α-ethynyl-α-methyl-;α-Ethynyl-α-methylbenzenemethanol;3-Phenyl-1-butyn-3-ol;Methylphenylethynylcarbinol;2-Phenyl-3-butyn-2-ol;Ethynylmethylphenylcarbinol;2-Hydroxy-2-phenyl-3-butyne;3-Phenylbutyn-3-ol;2-Phenyl-2-hydroxy-3-butyne;NSC 4329;3-Hydroxy-3-phenyl-1-butyne;131491-51-5
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

WHITE SEMI-TRANSPARENT CRYSTALS

2-Phenyl-3-butyn-2-ol Basic Attributes

Molecular Weight：

146.19

Exact Mass：

146.19

EC Number：

204-855-2

NSC Number：

4329

DSSTox ID：

DTXSID7021990

HScode：

29062990

Characteristics

PSA：

20.2

XLogP3：

1.5

Density：

1,031 g/cm 3

Melting Point：

52.3 °C

Boiling Point：

217.5 °C

Flash Point：

205 °F

Refractive Index：

1.5620 (estimate)

Safety Information

wgk germany：

hazard class code：

R22

safety instructions：

22-24/25

RTECS Number：

ES0840000

Marks：

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 89 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Phenyl-3-butyn-2-ol Use and Manufacturing

Uses

2-Phenyl-3-butyn-2-ol is used in an aqueous copper (II)-promoted cycloaddtion to azides leading to triazoles.

Manufacturing Info：

Benzenemethanol, .alpha.-ethynyl-.alpha.-methyl-: ACTIVE

Computed Properties

Molecular Weight:146.19
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:146.073164938
Monoisotopic Mass:146.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:171
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Phenyl-3-butyn-2-ol

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2-Phenyl-3-butyn-2-ol

CAS No.: 127-66-2

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