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Woodward's Reagent K

Woodward's Reagent K structure

CAS No:
4156-16-5
Formula:
C11H11NO4S
Chemical Name:
Woodward's Reagent K
Synonyms:
Isoxazolium,2-ethyl-5-(3-sulfophenyl)-,inner salt;Isoxazolium,2-ethyl-5-(m-sulfophenyl)-,hydroxide,inner salt;Isoxazolium,2-ethyl-5-(3-sulfophenyl)-,hydroxide,inner salt;2-Ethyl-5-(m-sulfophenyl)isoxazolium hydroxide,inner salt;Woodward's Reagent K;N-Ethyl-5-phenylisoxazolium-3′-sulfonate;Reagents,Woodward's K;NSC 82643

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Description

white to off-white crystalline powder

Woodward's Reagent K Basic Attributes

Molecular Weight：

253.27

Exact Mass：

253.040878

EC Number：

223-988-7

UNII：

3BN309R76H

DSSTox ID：

DTXSID80194411

HScode：

2934999090

Characteristics

PSA：

82.6

XLogP3：

2.23890

Density：

1.3854 (rough estimate)

Melting Point：

207 °C (decomp)

Storage Conditions：

Store at RT.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

S24/25

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)

MeSH Entry Terms：

N-ethyl-5-phenylisoxazolium-3'-sulfonate

Woodward's Reagent K Use and Manufacturing

Peptide-bond former.

Computed Properties

Molecular Weight:253.28
XLogP3:1.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:253.04087901
Monoisotopic Mass:253.04087901
Topological Polar Surface Area:82.6
Heavy Atom Count:17
Complexity:338
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Woodward's Reagent K

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Woodward's Reagent K

SDS

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