Pyrrole-1-propionic Acid

Modify Date: 2025-08-21 10:22:29

Pyrrole-1-propionic Acid Structure
Pyrrole-1-propionic Acid structure
 Common Name Pyrrole-1-propionic Acid
CAS Number 32807-28-6 Molecular Weight 139.152
Density 1.1±0.1 g/cm3 Boiling Point 287.8±23.0 °C at 760 mmHg
Molecular Formula C5H7ClO3 Melting Point 14-16 °C
MSDS Chinese USA Flash Point 127.9±22.6 °C
Symbol GHS06
GHS06		 Signal Word Danger

 Names

Name methyl 4-chloro-3-oxobutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 287.8±23.0 °C at 760 mmHg
Melting Point 14-16 °C
Molecular Formula C5H7ClO3
Molecular Weight 139.152
Flash Point 127.9±22.6 °C
Exact Mass 139.063324
PSA 43.37000
LogP 0.86
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.534
InChIKey HFLMYYLFSNEOOT-UHFFFAOYSA-N
SMILES COC(=O)CC(=O)CCl
Water Solubility 71 g/L (20 ºC)

 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 DATA

ACUTE 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

 Safety Information

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H301
Precautionary Statements P301 + P310
Hazard Codes T:Toxic;
Risk Phrases R25;R34
Safety Phrases S26-S36/37/39-S45
RIDADR UN 2810 6.1/PG 2
WGK Germany 3
RTECS AK5115000
Packaging Group III
Hazard Class 8
HS Code 2918300090

 Customs

HS Code 2918300090
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%

 Articles1

More Articles

Synthesis , 39, (2007)

 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
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