Introduction：Basic information about CAS 32807-28-6|Pyrrole-1-propionic Acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pyrrole-1-propionic Acid |
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| CAS Number | 32807-28-6 | Molecular Weight | 139.152 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 287.8±23.0 °C at 760 mmHg |
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| Molecular Formula | C5H7ClO3 | Melting Point | 14-16 °C |
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| MSDS | ChineseUSA | Flash Point | 127.9±22.6 °C |
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| Symbol |
GHS06 | Signal Word | Danger |
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Names
| Name | methyl 4-chloro-3-oxobutanoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 287.8±23.0 °C at 760 mmHg |
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| Melting Point | 14-16 °C |
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| Molecular Formula | C5H7ClO3 |
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| Molecular Weight | 139.152 |
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| Flash Point | 127.9±22.6 °C |
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| Exact Mass | 139.063324 |
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| PSA | 43.37000 |
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| LogP | 0.86 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.534 |
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| InChIKey | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
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| SMILES | COC(=O)CC(=O)CCl |
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| Water Solubility | 71 g/L (20 ºC) |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AK5115000
- CHEMICAL NAME :
- Acetoacetic acid, 4-chloro-, methyl ester
- CAS REGISTRY NUMBER :
- 32807-28-6
- BEILSTEIN REFERENCE NO. :
- 1759939
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C5-H7-Cl-O3
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 77 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 33,695,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 91 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 33,695,1987
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Safety Information
| Symbol |
GHS06 |
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| Signal Word | Danger |
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| Hazard Statements | H301 |
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| Precautionary Statements | P301 + P310 |
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| Hazard Codes | T:Toxic; |
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| Risk Phrases | R25;R34 |
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| Safety Phrases | S26-S36/37/39-S45 |
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| RIDADR | UN 2810 6.1/PG 2 |
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| WGK Germany | 3 |
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| RTECS | AK5115000 |
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| Packaging Group | III |
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| Hazard Class | 8 |
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| HS Code | 2918300090 |
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Customs
| HS Code | 2918300090 |
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| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| methyl 4-chloro-3-oxo-butanoate |
| Pyrrole-1-propionic Acid |
| 4-chloroacetoacetic acid methyl ester |
| Methyl 4-chloro-3-oxobutanoate |
| methyl 2-chloroacetoacetate |
| EINECS 251-230-5 |
| MFCD00000938 |
| 3-(1H-Pyrrol-1-yl)propanoic acid |
| Methyl 4-chloroacetoacetate |
| 1H-Pyrrole-1-propanoic acid |
| ACETOACETIC ACID,4-CHLORO-,METHYL ESTER |
| N-(2-carboxyethyl)pyrrole |
| 4-Chloro-3-oxobutanoic acid methyl ester |
| methyl 4-chloro-3-oxo-butyrate |
| Butanoic acid,4-chloro-3-oxo-,methyl ester |
