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557-30-2

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Basic Information
CAS No.: 557-30-2
Name: GLYOXIME
Article Data: 46
Cas Database
Molecular Structure:
Molecular Structure of 557-30-2 (GLYOXIME)
Formula: C2H4 N2 O2
Molecular Weight: 88.066
Synonyms: Ethanedial,dioxime (9CI); Glyoxal, dioxime (8CI); Glyoxime (6CI,7CI); Ethanedione dioxime;NSC 18263; Pik-off
Density: 1.29g/cm3
Melting Point: 178-180 °C
Boiling Point: 169.3°Cat760mmHg
Flash Point: 56.2°C
Hazard Symbols: R1:Explosive when dry.; R11:Highly flammable.; R21:Harmful in contact with skin.; R25:Toxic if swallowed.;
Risk Codes: R1;R11;R21;R25;
Safety: Poison by ingestion. Moderately toxic by skin contact. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 65.18000
LogP: -0.09360
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Chemistry

Molecule structure of Ethanedial dioxime (CAS NO.557-30-2):

IUPAC Name: N-[(E)-2-Nitrosoethenyl]hydroxylamine 
Molecular Weight: 88.06536 g/mol
Molecular Formula: C2H4N2O2 
Density: 1.293 g/cm3 
Melting Point: 178-180 °C
Boiling Point: 310.229 °C at 760 mmHg 
Flash Point: 188.015 °C
Index of Refraction: 1.487
Molar Refractivity: 19.569 cm3
Molar Volume: 68.087 cm3
Polarizability: 7.758×10-24 cm3
Surface Tension: 51.518 dyne/cm 
Enthalpy of Vaporization: 63.897 kJ/mol
XLogP3-AA: -0.1
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Tautomer Count: 5
Exact Mass: 88.027277
MonoIsotopic Mass: 88.027277
Topological Polar Surface Area: 61.7
Heavy Atom Count: 6
Complexity: 60.6
Canonical SMILES: C(=CN=O)NO
Isomeric SMILES: C(=C/N=O)\NO
InChI: InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-3,5H/b2-1+
InChIKey: RUFIRPVAEJIIIS-OWOJBTEDSA-N
EINECS of Ethanedial dioxime (CAS NO.557-30-2): 209-168-1

Toxicity Data With Reference

1.    

mmo-esc 20 µmol/plate

     MUREAV    Mutation Research. 164 (1986),263.
2.    

orl-rat LD50:119 mg/kg

     85ARAE    Agricultural Chemicals, Books I, II, III, and IV 3 (1976/7769.
3.    

skn-rbt LD50:1580 mg/kg

     FMCHA2    Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1983,C188.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion. Moderately toxic by skin contact. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Risk Statements: 1-11-21-25
R1:Explosive when dry. 
R11:Highly flammable. 
R21:Harmful in contact with skin. 
R25 :Toxic if swallowed.
Safety Statements: 16-35-36/37/39-45
S16:Keep away from sources of ignition. 
S35:This material and its container must be disposed of in a safe way. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 1325 4.1/PG 2
WGK Germany: 3
RTECS: MD2850000
HazardClass: 4.1
PackingGroup: II

Specification

 Ethanedial dioxime (CAS NO.557-30-2) is also called Glyoxal dioxime ; 3-01-00-03084 (Beilstein Handbook Reference) ; AI3-61673 ; BRN 1699539 ; CCRIS 7742 ; CGA 22,911 ; CGA-15281 ; CGA-22911 10S ; Caswell No. 471AA ; EPA Pesticide Chemical Code 425300 ; Ethanedione dioxime ; Glyoxal-dioxime ; Glyoxime ; NSC 18263 ; Pik-Off .

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