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Methyl nitroacetate

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Name

Methyl nitroacetate

EINECS 219-622-0
CAS No. 2483-57-0 Density 1.262 g/cm3
PSA 72.12000 LogP -0.04070
Solubility N/A Melting Point N/A
Formula C3H5NO4 Boiling Point 196.5 °C at 760 mmHg
Molecular Weight 119.077 Flash Point 105 °C
Transport Information N/A Appearance clear yellow liquid
Safety S26;S37/39 Risk Codes R36/37/38
Molecular Structure Molecular Structure of 2483-57-0 (Methyl nitroacetate) Hazard Symbols
Synonyms

Aceticacid, nitro-, methyl ester (6CI,7CI,8CI,9CI);Methyl 2-nitroacetate;Methylnitroacetate;Methyl a-nitroacetate;NSC 16153;Nitroacetic acid methyl ester;Methyl Nitroacetate;

Article Data 24

Methyl nitroacetate Specification

The Methyl nitroacetate with the cas number 2483-57-0 is also called Acetic acid, 2-nitro-, methyl ester. The IUPAC name is methyl 2-nitroacetate. This chemical belongs to the following product categories: (1)Acids and Derivatives; (2)Acetics acid and esters; (3)C2 to C5; (4)Carbonyl Compounds; (5)Esters. This chemical is light sensitive.

The properties of the chemical are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): -1.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.12; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 23.74 cm3; (15)Molar Volume: 94.3 cm3; (16)Polarizability: 9.41×10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Enthalpy of Vaporization: 43.27 kJ/mol; (19)Vapour Pressure: 0.397 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)Wear suitable protective clothing; (3)Wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)CC(=O)OC
(2)InChI: InChI=1/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3
(3)InChIKey: ALBSWLMUHHZLLR-UHFFFAOYAA

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 1025mg/kg (1025mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(7), Pg. 49, 1980.
mammal (species unspecified) LC inhalation > 651mg/m3/2H (651mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(7), Pg. 49, 1980.
mouse LD50 intraperitoneal 980mg/kg (980mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(7), Pg. 49, 1980.
mouse LD50 oral 3940mg/kg (3940mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(7), Pg. 49, 1980.
rat LD50 intraperitoneal 1190mg/kg (1190mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Vsesoyuznyi Institut Nauchnoi i Tekhnicheskoi Informatsii Vol. #6802-83,
rat LD50 oral 3770mg/kg (3770mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(7), Pg. 49, 1980.

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