Pyrrole-1-propionic Acid
Names
[ CAS No. ]:
32807-28-6
[ Name ]:
Pyrrole-1-propionic Acid
[Synonym ]:
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
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
[ Water Solubility ]:
71 g/L (20 ºC)
MSDS
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
[ 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
Precursor & DownStream
Precursor
DownStream
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%