CAS 471-25-0 Propiolic Acid - Materials / Alfa Chemistry

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Charge Transfer Complexes

Propiolic Acid

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Catalog Number

ACM471250

Product Name

Propiolic Acid

Structure

CAS

471-25-0

Category

Charge Transfer Complexes

Description

Solid

IUPAC Name

prop-2-ynoic acid

Molecular Weight

70.05g/mol

Molecular Formula

C3H₂O2

Canonical SMILES

C#CC(=O)O

InChI

InChI=1S/C3H₂O2/c1-2-3(4)5/h1H,(H,4,5)

InChI Key

UORVCLMRJXCDCP-UHFFFAOYSA-N

Boiling Point

144 °C (decomposes)

Melting Point

9.0 °C;18 °C

Flash Point

58 °C (136 °F) - closed cup

Density

1.1380 g/cu cm at 20 °C

Solubility

Very soluble in water, ether, ethanol, chloroform;Miscible with water;In water, 1.0X10+6 mg/L /miscible/ at 25 °C (est)

Color/Form

Crystals from carbon disulfde;Crystals or liquid

Complexity

84.3

Covalently-Bonded Unit Count

EC Number

207-437-8

Exact Mass

70.005479g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = -0.19 (est)

MeSH Entry Terms

propiolic acid;propiolic acid, monosodium salt;propynoic acid

Monoisotopic Mass

70.005479g/mol

NSC Number

16152

Odor

Odor resembling acetic acid

Other Experimental

BP: 72 °C at 50 mm Hg;When heated to decompostion it emits acrid smoke and irritating fumes;Hydroxyl radical reaction rate constant = 2.97X10-12 cu cm/molec-sec at 25 °C (est)

Refractive Index

Index of refraction: 1.4306 at 20 °C/D

Rotatable Bond Count

UNII

P2QW39G9LZ

Vapor Pressure

3.5 mm Hg at 25 °C (est)

XLogP3

0.3

MSDS

Download MSDS

COA