1-Pyrenebutanoic acid

HCID 76977
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Basic information

CAS
25338-56-1
Standard SMILES
O=C(O)CCCc1ccc2ccc3cccc4ccc1c2c34
InChIKey
QXYRRCOJHNZVDJ-UHFFFAOYSA-N
Molecular formula
C20H16O2
Average molar mass
288.3 g/mol
Monoisotopic mass
288.11502975

Overview

fluorescent probe; RN given refers to 1-pyrenebutyrate

Names & identifiers

Preferred name
1-Pyrenebutanoic acid
IUPAC
4-pyren-1-ylbutanoic acid
English name
1-PYRENEBUTYRIC ACID
Molecular formula
C20H16O2
Molecular weight
288.34

Names & synonyms

1-Pyrenebutyric acid3443-45-61-Pyrenebutanoic acid1-Pyrenylbutyric acidPyrene-3-butyric acid4-(1-Pyrenyl)butyric acid1-Pyrenebutyrategamma-(3-Pyrenyl)butyric acidCT0DC64E8QNSC-308334-(1-Pyrene)butyric acidDTXSID4063032
Show more names
PyBANSC 30833Pyrenebutyric aciPyren-1-buttersure
RefChem:436499DTXCID3038850222-354-74-(Pyren-1-Yl)Butanoic Acidpyrenebutyric acid4-pyren-1-ylbutanoic acidPyrene-1-butyric acidMFCD00004141

Database identifiers

CAS
25338-56-1、3443-45-6
PubChem CID
76977
DTXSID
DTXSID4063032
ChEMBL
CHEMBL1484333
UNII
CT0DC64E8Q
EC Number
222-354-7
Nikkaji
J216.120F

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
22

Experimental & physicochemical properties

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Physical DescriptionLight brown powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
184 · 184-186 °C (lit.)
Boiling point
370.57 °C · 370.57°C (rough estimate)
Density
1.1742 · 1.1742 (rough estimate)
refractive index
1.48 · 1.4800 (estimate)
storage temp.
30 °C · Store below +30°C.
solubility
DMSO (Slightly), Methanol (Slightly, Heated)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Pyrene.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
ridadr
UN 3077 9/PG 3
hs_code
2916 39 90
risk_code
36/37/38-50

Chemistry & industry

Uses & manufacturing

UsesFluorescent probe. [ChemIDplus]
General Manufacturing Information1-Pyrenebutanoic acid: ACTIVE
Applications · 3 items

DescriptionPyrenylbutyric acid is a derivative of pyrene hydrocarbon with a free carboxylic acid function. The reagent is useful as a control for experiments with other reactive pyrene derivatives such as pyrene NHS ester and pyrene azide. Carboxylic acid function can be activated by carbodiimides and other activating reagents.

Uses1-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.

General Description1-Pyrenebutyric acid (PBA) is a conjugated polymer that has a large π system and a carboxylic group. It is majorly used in surface functionalization. It has a high fluorescence efficiency and stability that make it useful in optoelectronic applications.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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