CAS Number1003-29-8
Synonyms1H-Pyrrole-2-carbaldehyde; 1H-Pyrrole-2-carboxaldehyde; EINECS 213-705-5; 2-PCA; 2-PYRROLYLCARBOXALDEHYDE; A-PYRROLALDEHYDE; PYRROLE-2-ALDEHYDE; 2-Pyrrolecarbaldehyde; pyrrole-2-carbaldehyde; 2-Pyrrolaldehyde; 2-Pyrrolecarboxaldehyde; pyrrol-2-carboxaldehyde; formylpyrrole; 2-FORMYL-1H-PYRROLE; pyrrole-2-carboxaldehyde; MFCD00005217; 2-Formylpyrrole
Molecular FormulaC5H5NO
Molecular Weight95.10
Purity98%
Density1.2±0.1 g/cm3
Boiling Point217-219 °C (lit.)
Melting Point43-46 °C (lit.)
Appearancecrystals
EINECS213-705-5
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1003-29-8 |
| Catalog No. | 2A-9008717 |
| Chinese Name | 吡咯-2-甲醛 |
| Synonyms | 1H-Pyrrole-2-carbaldehyde; 1H-Pyrrole-2-carboxaldehyde; EINECS 213-705-5; 2-PCA; 2-PYRROLYLCARBOXALDEHYDE; A-PYRROLALDEHYDE; PYRROLE-2-ALDEHYDE; 2-Pyrrolecarbaldehyde; pyrrole-2-carbaldehyde; 2-Pyrrolaldehyde; 2-Pyrrolecarboxaldehyde; pyrrol-2-carboxaldehyde; formylpyrrole; 2-FORMYL-1H-PYRROLE; pyrrole-2-carboxaldehyde; MFCD00005217; 2-Formylpyrrole |
| Molecular Formula | C5H5NO |
| Molecular Weight | 95.10 |
| Purity | 98 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 217-219 °C (lit.) |
| Melting Point | 43-46 °C (lit.) |
| Appearance | crystals |
| Water Solubility | Soluble in: methanol |
| Storage Condition | Store under dry inert gas, keep container sealed, |
| Application | Pyrrole-2-carboxaldehyde has vibrational and electronic properties that are used to determine the presence of the dimer form in the solid phase and the monomeric form in the solution phase [1]. |
| EINECS | 213-705-5 |
| HTC | 2933990090 |
| PubChem ID | 24898842 |
| MDL Number | MFCD00005217 |
| SMILES | [H]C(=O)c1ccc[nH]1 |
| InChI | 1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H |
| InChI Key | ZSKGQVFRTSEPJT-UHFFFAOYSA-N |
| Beilstein/REAXYS | 105745 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| Safety Description | S24/25 |
| MSDS | msds/8717_2_1003_29_8.pdf |
| Bioactivity | Pyrrole-2-carboxaldehyde has vibrational and electronic characteristics used to establish the existence of dimeric form in solid phase and monomeric form in solution phase[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. MeenakshiRana, et al. Vibrational-electronic properties of intra/inter molecular hydrogen bonded heterocyclic dimer: An experimental and theoretical study of pyrrole-2-carboxaldehyde. Vibrational Spectroscopy, Volume 89, March 2017, Pages 16-25 Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 219.1±13.0 °C at 760 mmHg Melting Point 43-46 °C(lit.) Molecular Formula C5H5NO Molecular Weight 95.099 Flash Point 106.7±0.0 °C Exact Mass 95.037117 PSA 32.86000 LogP 0.64 Vapour Pressure 0.1±0.4 mmHg at 25°C Index of Refraction 1.607 InChIKey ZSKGQVFRTSEPJT-UHFFFAOYSA-N SMILES O=Cc1ccc[nH]1 Storage condition 2-8°C |
| Use of | Pyrrole-2-carboxaldehyde has vibrational and electronic characteristics used to establish the existence of dimeric form in solid phase and monomeric form in solution phase[1]. Properties Articles18 Name pyrrole-2-carboxaldehyde Synonym More Synonyms 2-Formyl-1H-pyrrole Biological Activity Description Pyrrole-2-carboxaldehyde has vibrational and electronic characteristics used to establish the existence of dimeric form in solid phase and monomeric form in solution phase[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. MeenakshiRana, et al. Vibrational-electronic properties of intra/inter molecular hydrogen bonded heterocyclic dimer: An experimental and theoretical study of pyrrole-2-carboxaldehyde. Vibrational Spectroscopy, Volume 89, March 2017, Pages 16-25 Chemical & Physical Properties Molecular Formula C5H5NO Exact Mass 95.037117 PSA 32.86000 Index of Refraction 1.607 InChIKey ZSKGQVFRTSEPJT-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| 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 |
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