CAS Number637-44-5
SynonymsMFCD00004361; β-phenylpropargylic acid; 3-Phenyl-2-propynoic acid; 3-phenyl-propiolic acid; phenylpropiolic acid; b-phenylpropargylic acid; EINECS 211-285-8; 3-Phenylprop-2-ynoic acid; phenyl-propiolic acid
Molecular FormulaC6H5C≡CCOOH
Molecular Weight146.14
Purity99%
Density1.2±0.1 g/cm3
Boiling Point302.6±15.0 °C at 760 mmHg
Melting Point135-137 °C (lit.)
Appearancecrystals
EINECS211-285-8
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 637-44-5 |
| Catalog No. | 2A-9008671 |
| Chinese Name | 苯丙炔酸 |
| Synonyms | MFCD00004361; β-phenylpropargylic acid; 3-Phenyl-2-propynoic acid; 3-phenyl-propiolic acid; phenylpropiolic acid; b-phenylpropargylic acid; EINECS 211-285-8; 3-Phenylprop-2-ynoic acid; phenyl-propiolic acid |
| Molecular Formula | C6H5C≡CCOOH |
| Molecular Weight | 146.14 |
| Purity | 99 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 302.6±15.0 °C at 760 mmHg |
| Melting Point | 135-137 °C (lit.) |
| Appearance | crystals |
| Water Solubility | freely soluble |
| Storage Condition | Store in a sealed container in a cool, dry place. |
| Application | Phenylpropiolic acid is an endogenous metabolite. |
| EINECS | 211-285-8 |
| HTC | 29163900 |
| PubChem ID | 24898391 |
| MDL Number | MFCD00004361 |
| SMILES | OC(=O)C#Cc1ccccc1 |
| InChI | 1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11) |
| InChI Key | XNERWVPQCYSMLC-UHFFFAOYSA-N |
| Beilstein/REAXYS | 742587 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| Risk Codes | R36/37/38 |
| Safety Description | S24/25 |
| MSDS | msds/8671_2_637_44_5.pdf |
| Bioactivity | Phenylpropiolic acid is an endogenous metabolite. Related Catalog Research Areas >> Metabolic Disease Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 302.6±15.0 °C at 760 mmHg Melting Point 135-137 °C(lit.) Molecular Formula C9H6O2 Molecular Weight 146.143 Flash Point 151.0±16.9 °C Exact Mass 146.036774 PSA 37.30000 LogP 2.61 Vapour Pressure 0.0±0.7 mmHg at 25°C Index of Refraction 1.603 InChIKey XNERWVPQCYSMLC-UHFFFAOYSA-N SMILES O=C(O)C#Cc1ccccc1 Storage condition 0-6°C Water Solubility freely soluble |
| Use of | Phenylpropiolic acid is an endogenous metabolite. Properties Articles16 Name Phenylpropiolic acid Synonym More Synonyms 3-Phenylpropiolic acid Biological Activity Description Phenylpropiolic acid is an endogenous metabolite. Related Catalog Research Areas >> Metabolic Disease Chemical & Physical Properties Molecular Formula C9H6O2 Exact Mass 146.036774 PSA 37.30000 Index of Refraction 1.603 InChIKey XNERWVPQCYSMLC-UHFFFAOYSA-N Water Solubility freely soluble |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip. |
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