compound introduction
氰基乙酸乙酯是一种有机化合物，分子式为C5H7NO2，常用于有机合成中间体。它具有特殊的化学性质，可用于制备多种药物和精细化学品。
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cyanomethyl acetate
CAS number：1001-55-4 molecular formula：C4H5NO2
overview
Specs
| Chinese alias | 乙酸氰甲基酯、氰乙酸乙酯 | ||
| English alias | - | ||
| CAS number | 1001-55-4 | molecular formula | C4H5NO2 |
| molecular weight | 99.09 | Exact mass | - |
| PSA | 50.1 | logp | -0.1 |
numbering system
| CAS | 1001-55-4 |
| UNII | VM1DZ0X2D6 |
| Wikidata | Q27291897 |
| NSC Number | NSC Number: NSC71942 |
| PubChem CID | 13843 |
| Nikkaji Number | J35.141E |
| DSSTox Substance ID | DTXSID00142939 |
| European Community (EC) Number | 872-138-7 |
| PubChem Reference Collection SID | 505401383 |
physicochemical properties
| XLogP3 | XLogP3-AA: -0.1 |
| Complexity | 110 |
| Exact Mass | 99.032028402 |
| Formal Charge | 0 |
| Vapor Pressure | 0.36 [mmHg] |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
| Heavy Atom Count | 7 |
| Molecular Weight | 99.09 |
| Monoisotopic Mass | 99.032028402 |
| Isotope Atom Count | 0 |
| Rotatable Bond Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Topological Polar Surface Area | 50.1 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Toxicity Data：
LCLo (rat) = 16 ppm/4h
Adverse Effects：
Other Poison - Chemical Asphyxiant
Hazards Summary：
Highly toxic by all routes; Emergency treatment: Acetonitrile; Acetonitrile can cause delayed onset (2-13 hours) cyanide poisoning; See NITRILES.
Human Toxicity Excerpts：
IT IS ABSORBED THROUGH THE SKIN, & IF NOT IMMEDIATELY REMOVED, MAY HAVE FATAL CONSEQUENCES. /GLYCOLONITRILE/
Non-Human Toxicity Excerpts：
CYANOMETHYL ACETATE RATED 5 ON RABBIT EYES /ON A SCALE 1-10 ACCORDING TO DEGREE OF INJURY OBSERVED AFTER 24 HR, PAYING PARTICULAR ATTENTION TO CONDITION OF CORNEA. MOST SEVERE INJURY= 10/.
Hazard Classes and Categories：
STOT SE 3 (100%)
Probable Routes of Human Exposure：
...GLYCOLONITRILE...IS A HIGHLY TOXIC SUBSTANCE & EXPOSURE BY ANY ROUTE MUST BE STRICTLY AVOIDED. ... PERSONNEL MUST BE PROTECTED AGAINST CONTACT. /GLYCOLONITRILE/
Personal Protective Equipment (PPE)：
WHILE THERE ARE NO REPORTS OF INJURY TO HUMANS HANDLING THE MATERIAL, CARE SHOULD BE USED TO AVOID SKIN CONTACT AND INHALATION OF VAPOR, ESPECIALLY HEATED VAPOR. /METHYL CYANOACETATE/
Production methods and uses
purpose
MFR INTERMEDIATES IN PRODN OF PHARMACEUTICALS & AS COMPONENT OF SYNTHETIC RESINS /GLYCOLONITRILE/
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 0 shareMSDS
