CAS No.637-81-0,ETHYL AZIDOACETATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	637-81-0
Name:	ETHYL AZIDOACETATE
Article Data:	108

Formula:	C₄H₇N₃O₂
Molecular Weight:	129.118
Synonyms:	Aceticacid, azido-, ethyl ester (7CI,8CI,9CI);(Ethoxycarbonyl)methyl azide;2-Azidoacetate ethyl ester;Azidoacetic acid ethyl ester;Ethyl 2-azidoacetate;Ethyl azidoacetate;Ethyl a-azidoacetate;NSC 84132;
EINECS:	211-301-3
Density:	1.127 g/mL at 25 °C
Boiling Point:	44-46 °C 2mm
Flash Point:	7 °C
Appearance:	Colorless or light yellow liquid
Hazard Symbols:	Xn,Xi,C
Risk Codes:	1-40-36/37/38-10-67-65-63-48/20-38-11
Safety:	7-16-26-35-36-47-62-45-36/37
Transport Information:	UN 1593
PSA:	76.05000
LogP:	0.31256

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Specification

The IUPAC name of Ethyl azidoacetate is ethyl 2-azidoacetate. With the CAS registry number 637-81-0, it is also named as Azidoacetic acid ethyl ester. The product's categories are Azides; AzidesChemical Ligation; Click Chemistry; Nitrogen Compounds; Organic Azides; Organic Building Blocks. Besides, it is colorless or light yellow liquid, which dissolves in alcohols, Acetone and Ethyl ether. In addition, this chemical should be stored in sealed containers in cool, dry and dark place that away from oxidizing agents.

The other characteristics of Ethyl azidoacetate can be summarized as: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.808; (4)ACD/LogD (pH 7.4): 0.808; (5)ACD/BCF (pH 5.5): 2.421; (6)ACD/BCF (pH 7.4): 2.421; (7)ACD/KOC (pH 5.5): 65.545; (8)ACD/KOC (pH 7.4): 65.545; (9)XLogP3-AA: 1.6; (10)H-Bond Donor: 0; (11)H-Bond Acceptor: 4; (12)Rotatable Bond Count: 4; (13)Exact Mass: 129.053826; (14)MonoIsotopic Mass: 129.053826; (15)Topological Polar Surface Area: 40.7; (16)Heavy Atom Count: 9; (17)Complexity: 139; (18)Boiling Point: 44-46 °C 2mm; (19)Flash point: 7 °C; (20)Density: 1.127 g/mL at 25 °C; (21)EINECS: 211-301-3.

When you are using this chemical, please be cautious about it as the following: it is highly flammable and explosive when dry. Please keep away from sources of ignition. And please keep at temperature not exceeding. It is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing and gloves when use it. Moreover, it is harmful by inhalation. Please keep container tightly closed. The product may cause lung damage if swallowed. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. Furthermore, it is danger of serious damage to health by prolonged exposure and risk of harm to the unborn child. And its vapours may cause drowsiness and dizziness. Therefore, this material and its container must be disposed of in a safe way. Additionally, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:CCOC(=O)CN=[N+]=[N-]
(2)InChI:InChI=1/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3
(3)InChIKey:HVJJYOAPXBPQQV-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3
(5)Std. InChIKey:HVJJYOAPXBPQQV-UHFFFAOYSA-N