Methyl 2-isocyanopropanoate

HCID 2734780

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Grundinformationen

CAS: 33115-74-1
Standard-SMILES: [C-]#[N+]C(C)C(=O)OC
InChIKey: UFGJMIRODOAASM-UHFFFAOYSA-N
Summenformel: C5H7NO2
Durchschnittliche Molmasse: 113,11 g/mol
Monoisotopische Masse: 113,04767847

Namen und Bezeichner

Bevorzugter Name: Methyl 2-isocyanopropanoate
IUPAC: methyl 2-isocyanopropanoate
Englischer Name: METHYL 2-ISOCYANOPROPIONATE, 96
Summenformel: C5H7NO2
Molmasse: 113.12

Namen und Synonyme

Methyl 2-isocyanopropanoateRefChem:814490673-580-133115-74-12-Isocyanopropionic acid methyl esterMFCD04117544methyl-2-isocyanopropionatemethyl isocyanopropionateMethyl2-isocyanopropanoatemethyl alpha-isocyanopropionateSCHEMBL9423011DTXSID90370502

Weitere Namen anzeigen

UFGJMIRODOAASM-UHFFFAOYSA-NMethyl alpha-methylisocyano-acetateIBA115742-Isocyanopropionicacid methyl esterAC8795AKOS006292672GS-0327METHYL 2-ISOCYANOPROPIONATE, 96

Datenbank-Bezeichner

CAS: 33115-74-1
PubChem CID: 2734780
DTXSID: DTXSID90370502
EC Number: 673-580-1
Nikkaji: J2.508.304K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 30,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 133

Physikochemische Eigenschaften

CAS Datenbank: 33115 · 33115-74-1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (50%)；Acute Tox. 4 (50%)；Acute Tox. 3 (50%)；Acute Tox. 4 (50%)；Skin Corr. 1B (50%)；Acute Tox. 3 (50%)；Acute Tox. 4 (50%)