CAS No.2483-57-0,Methyl nitroacetate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2483-57-0
Name:	Methyl nitroacetate
Article Data:	24

Formula:	C₃H₅NO₄
Molecular Weight:	119.077
Synonyms:	Aceticacid, nitro-, methyl ester (6CI,7CI,8CI,9CI);Methyl 2-nitroacetate;Methylnitroacetate;Methyl a-nitroacetate;NSC 16153;Nitroacetic acid methyl ester;Methyl Nitroacetate;
EINECS:	219-622-0
Density:	1.262 g/cm³
Boiling Point:	196.5 °C at 760 mmHg
Flash Point:	105 °C
Appearance:	clear yellow liquid
Hazard Symbols:
Risk Codes:	R36/37/38
Safety:	S26;S37/39
PSA:	72.12000
LogP:	-0.04070

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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.