ETHYL NITROACETATE
Names
[ CAS No. ]:
626-35-7
[ Name ]:
ETHYL NITROACETATE
[Synonym ]:
Ethylnitroacetate
Nitroacetic acid ethyl ester
EINECS 210-944-7
MFCD00007403
Ethyl nitroacetate
Acetic acid, 2-nitro-, ethyl ester
ethyl 2-nitroacetate
Nitro ethyl acetate
Biological Activity
[Description]:
[Related Catalog]:
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
208.6±0.0 °C at 760 mmHg
[ Molecular Formula ]:
C4H7NO4
[ Molecular Weight ]:
133.10
[ Flash Point ]:
92.2±0.0 °C
[ Exact Mass ]:
133.037506
[ PSA ]:
72.12000
[ LogP ]:
0.88
[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C
[ Index of Refraction ]:
1.426
[ Storage condition ]:
Keep Cold
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AJ1074000
- CHEMICAL NAME :
- Acetic acid, nitro-, ethyl ester
- CAS REGISTRY NUMBER :
- 626-35-7
- BEILSTEIN REFERENCE NO. :
- 1210027
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C4-H7-N-O4
- MOLECULAR WEIGHT :
- 133.12
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 :
- 2275 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - muscle contraction or spasticity
- REFERENCE :
- VINIT* Vsesoyuznyi Institut Nauchnoi i Tekhnicheskoi Informatsii (VINITI). All-Union Institute of Scientific and Technical Information. (Moscow, USSR) Use information broker to obtain publications. Volume(issue)/page/year: #6802-83
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5250 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - acute pulmonary edema Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 24(7),49,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1400 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - acute pulmonary edema Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 24(7),49,1980
- TYPE OF TEST :
- LC - Lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- >728 mg/m3/2H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 24(7),49,1980
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xi:Irritant;
[ Risk Phrases ]:
R38
[ Safety Phrases ]:
S23-S24/25-S37
[ WGK Germany ]:
2
[ RTECS ]:
AJ1074000
[ HS Code ]:
29159080
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2915900090
[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%
Articles
Gig. Tr. Prof. Zabol. (7) , 49-51, (1980)
Synthesis and biological evaluation of DL-4,4-difluoroglutamic acid and DL-gamma,gamma-difluoromethotrexate.
J. Med. Chem. 39(1) , 66-72, (1996)
DL-4,4-Difluoroglutamic acid (DL-4,4-F2Glu) and its methotrexate analogue, DL-gamma,gamma-difluoromethotrexate (DL-gamma,gamma-F2MTX), were synthesized and evaluated as alternate substrates or inhibit...
Formation of γ-oxoacids and 1H-pyrrol-2(5H)-ones from α,β-unsaturated ketones and ethyl nitroacetate.J. Org. Chem. 75(21) , 7435-8, (2010)
Michael addition of ethyl nitroacetate on α,β-unsaturated ketones followed by Nef oxidation under hydrolytic conditions yields γ-oxoacids instead of the corresponding α,δ-dioxoesters. A concerted deca...