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1-Pyrenebutanoic acid

1-Pyrenebutanoic acid structure

CAS No:
3443-45-6
Formula:
C20H16O2
Chemical Name:
1-Pyrenebutanoic acid
Synonyms:
1-Pyrenebutanoic acid;1-Pyrenebutyric acid;γ-(3-Pyrenyl)butyric acid;Pyrene-3-butyric acid;1-Pyrenylbutyric acid;4-(1-Pyrenyl)butyric acid;4-(1-Pyrene)butyric acid;4-(1-Pyrenyl)butanoic acid;4-(1-Pyrene)butanoic acid;NSC 30833;1263096-99-6
Categories:
Chemical Reagents > Organic Reagents

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Description

Pale yellow or yellow-beige crystalline powder

1-Pyrenebutanoic acid Basic Attributes

Molecular Weight：

288.34

Exact Mass：

288.34

BRN：

2140554

EC Number：

222-354-7

UNII：

CT0DC64E8Q

NSC Number：

30833

DSSTox ID：

DTXSID4063032

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

5.1

Appearance：

Pale yellow or yellow-beige Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

185-186 °C

Boiling Point：

515.9°C at 760 mmHg

Flash Point：

412.3±16.6 °C

Refractive Index：

1.775

Water Solubility：

Partially soluble in water.

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

36/37/38-50

safety instructions：

26-36-61

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-pyrenebutyrate

1-Pyrenebutanoic acid Use and Manufacturing

Methods of Manufacturing

1 g (2.78 mmol) of 4-oxo-4-(pyrene-1-yl)-butyric acid was dissolved in 30 ml diethylene glycol and 0.5 9 (10 mmol) of hydrazine hydrate as well as 0.56 g (10 mmol) of KOH added thereto. The reaction solution was heated under reflux for 2 hours and then poured onto iced hydrochloric acid (25percent), forming a yellow precipitate. Filtration of the solid and recrystallization from EtOH yielded 570 mg (71percent) of 4-(pyrene-1-yl)-butyric acid.

Uses

1-Pyrenebutyric Acid is a fluorescent probe used to study proteins, lipids, nucleic acids and other biological systems. The fluorescence lifetime of 1-Pyrenebutyric Acid depends on local oxygen and free radical concentration.

Manufacturing Info：

1-Pyrenebutanoic acid: ACTIVE

Computed Properties

Molecular Weight:288.3
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:288.115029749
Monoisotopic Mass:288.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:22
Complexity:418
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Succinic anhydride

Toluene

Diethylene glycol

Thionyl chloride

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