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Phenylglyoxal

Phenylglyoxal structure

CAS No:
1074-12-0
Formula:
C8H6O2
Chemical Name:
Phenylglyoxal
Synonyms:
Benzeneacetaldehyde,α-oxo-;Glyoxal,phenyl-;α-Oxobenzeneacetaldehyde;Formaldehyde,benzoyl-;Phenylglyoxal;Phenylethanedione;1-Phenyl-1,2-ethanedione;Benzoylcarboxaldehyde;Benzoylformaldehyde;Phenylglyoxaldehyde;2-Phenyl-2-oxoacetaldehyde;1-Phenylglyoxal;NSC 156299;NSC 26909;NSC 627436;Phenylethanedial;2-Oxo-2-phenylethanal;2-Oxo-2-phenylacetaldehyde;942650-33-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

white to light yellow powder

Phenylglyoxal is a member of phenylacetaldehydes.|A reagent that is highly selective for the modification of arginyl residues. It is used to selectively inhibit various enzymes and acts as an energy transfer inhibitor in photophosphorylation.

Phenylglyoxal Basic Attributes

Molecular Weight：

134.134

Exact Mass：

134.13

EC Number：

214-036-1

UNII：

N45G3015PA

NSC Number：

627436|156299|26909

DSSTox ID：

DTXSID8025888

HScode：

29122900

Characteristics

PSA：

34.1

XLogP3：

1.7

Density：

1.133±0.06 g/cm3(Predicted)

Melting Point：

123 °C

Boiling Point：

108-110 °C @ Press: 15 Torr

Flash Point：

69.8±5.5 °C

Refractive Index：

1.529

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

22-26-36-39

RTECS Number：

MD3260000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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.)|Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

MeSH Entry Terms：

Phenylglyoxal

Phenylglyoxal Use and Manufacturing

This commercially available peptide/protein-modifying reagent (FW = 134.13 g/mol; CAS 1074-12-0), occasionally called benzoylformaldehyde, is a mild oxidant that reacts covalently with guanidinium groups at pH ~ 7, consuming two moles of reagent per mole of reactive arginyl residue. Modified guanidinium groups are relatively stable below pH 4; however, the original guanidinium group is slowly regenerated at neutral or alkaline pH. Upon prolonged incubation with phenylglyoxal, a-amino grou

Computed Properties

Molecular Weight:134.13
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:134.036779430
Monoisotopic Mass:134.036779430
Topological Polar Surface Area:34.1
Heavy Atom Count:10
Complexity:134
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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PHENYLGLYOXAL

CAS No.: 1074-12-0

Content: 99.00%

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