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| CAS No.: | 2154-68-9 |
|---|---|
| Name: | 3-CARBOXY-PROXYL |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C9H16 N O3 |
| Molecular Weight: | 188.247 |
| Synonyms: | 2,2,5,5-Tetramethyl-3-carboxypyrrolidine-N-oxyl;2,2,5,5-Tetramethyl-3-carboxypyrrolidinooxy; 2,2,5,5-Tetramethylpiperidine-1-oxyl-3-carboxylicacid; 2,2,5,5-Tetramethylpyrrolidine-1-oxyl-3-carboxylic acid;3-Carboxy-1-oxyl-2,2,5,5-tetramethylpyrrolidine;3-Carboxy-2,2,5,5-tetramethyl-1-pyrrolidinyloxy;3-Carboxy-2,2,5,5-tetramethylpyrrolidin-1-oxy; 3-Carboxy-2,2,5,5-tetramethylpyrrolidine-1-oxyl;3-Carboxy-2,2,5,5-tetramethylpyrrolidinyloxy;3-Carboxy-2,2,5,5-tetramethylpyrrolidinyloxyl;DL-3-Carboxy-2,2,5,5-tetramethyl-1-pyrrolidinyloxyl; NSC 158842; PCA; PCA(radical); T 517 |
| Density: | 1.129g/cm3 |
| Melting Point: | 200°C (dec.) |
| Boiling Point: | 307.2°Cat760mmHg |
| Flash Point: | 139.6°C |
| Solubility: | Soluble in water (partly miscible), methanol (50 mg/ml), acetone, dichloromethane and chloroform. |
| Risk Codes: | 36/37/38 |
| Safety: | Moderately toxic by intravenous route. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 60.77000 |
| LogP: | 1.27720 |
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Chemistry
IUPAC Name: 1-Hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
Molecular Formula: C9H17NO3
EINECS: 218-448-2
Transport information: UY6705500
Molecular Weight: 186.26g/mol
Density: 1.129g/cm3
Melting Point: 200°C (dec.)
Boiling Point: 307.2°C at 760mmHg
Flash Point: 139.6°C
Storage temperature: 0-6°C
Chemical properties: yellow Solid
Freely Rotating Bonds: 2
Polar Surface Area: 38.77 Å2
Index of Refraction: 1.494
Molar Refractivity: 48.35 cm3
Molar Volume: 165.8 cm3
Polarizability: 19.16 ×10-24 cm3
Surface Tension: 39.9 dyne/cm
Enthalpy of Vaporization: 60.24 kJ/mol
Vapour Pressure: 0.000167 mmHg at 25°C
The Cas Register Number of 2,2,5,5-Tetramethyl-1-pyrrolidinyloxy-3-carboxylic acid is 2154-68-9.The chemical synonyms of 2,2,5,5-Tetramethyl-1-pyrrolidinyloxy-3-carboxylic acid (CAS NO.2154-68-9) are 3-Carboxy-proxyl ; Oprea1_453832 ; CID92169 ; NSC158842 ; 2,2,5,5-Tetramethyl-3-carboxypyrrolidinooxy ; 3-Carboxy-2,2,5,5-tetramethylpyrrolidinyloxyl ; 2,2,5,5-Tetramethyl-3-carboxypyrrolidine-N-oxyl ; 1-Pyrrolidinyloxy, 3-carboxy-2,2,5,5-tetramethyl- ; 2,2,5,5-Tetramethyl-1-pyrrolidinyl-oxy-3-carboxylic acid ; (+)-Hydroxypyrrolidine-3-carboxylic acid, 2,2,5,5,-tetramethyl- .Product categories of 2,2,5,5-Tetramethyl-1-pyrrolidinyloxy-3-carboxylic acid (CAS NO.2154-68-9) are Heterocyclic Compounds ; Analytical Chemistry ; ESR Spectrometry ; Spin Labels ; Heterocycles ; Spin Labeling Compounds .The molecular structure of 2,2,5,5-Tetramethyl-1-pyrrolidinyloxy-3-carboxylic acid (CAS NO.2154-68-9) is 
.
Uses
It has been used to determine distribution coefficients of neutral solubilizates in anionic micelles.
Production
Reaction of 2,2,5,5-tetramethylpyrrolidin-1-oxyl-3-carboxylic acid (I) with 6-amino-2,2-dimethyl-1,3-dioxepan-5-ol (II) yields 2,2,5,5-tetramethylpyrrolidin-1-oxyl-3-carboxylic acid (5-hydroxy-2,2-dimethyl-1,3-dioxepan-6-yl)amide (III). Subsequent acidic hydrolysis gives 2,2,5,5-Tetramethyl-1-pyrrolidinyloxy-3-carboxylic acid (CAS NO.2154-68-9).
Toxicity Data With Reference
| 1. | ivn-rat LD50:2812 mg/kg | INVRAV Investigative Radiology. 19 (1984),549. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by intravenous route. When heated to decomposition it emits toxic vapors of NOx.
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.