tert-Butyl methylcarbamate (HCID 527635)

Namen und Bezeichner

Bevorzugter Name: tert-Butyl methylcarbamate
IUPAC: tert-butyl N-methylcarbamate
Englischer Name: TERT-BUTYL-N-METHYLCARBAMATE
Summenformel: C6H13NO2
Molmasse: 131.17

Namen und Synonyme

tert-Butyl methylcarbamate16066-84-5carbamic acid, methyl-, 1,1-dimethylethyl esterCarbamic acid, N-methyl, t-butyl esterDTXSID50335859Carbamic acid, methyl, tert-butyl esterCARBAMIC ACID,N-METHYL,TERT.BUTYL ESTERRefChem:188208DTXCID00286948InChI=1/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8JHLVEBNWCCKSGY-UHFFFAOYSA-Ntert-butyl N-methylcarbamate

Weitere Namen anzeigen

TERT-BUTYL-N-METHYLCARBert-ButylmethylcarbamateMethylamine, N-BOC protected(tert-Butoxycarbonyl)methylamineN-(tert-Butoxycarbonyl)methylamine1,1-Dimethylethyl N-methylcarbamate

tert-Butyl-N-methylcarbamateMethyl-carbamic acid tert-butyl esterMFCD08899404Carbamic acid, N-methyl-, 1,1-dimethylethyl ester(tert-Butoxycarbonyl)methylamine; Methylcarbamic Acid tert-butyl Ester;N-(tert-Butoxycarbonyl)methylamine; N-Methylcarbamic Acid tert-Butyl Ester;N-Boc-methanaminemethylcarbamic acid tert-butyl ester

Datenbank-Bezeichner

CAS: 16066-84-5
PubChem CID: 527635
DTXSID: DTXSID50335859
EC Number: 813-058-4
Nikkaji: J944.088G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 104

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

935

1392

Physikochemische Eigenschaften

Siedepunkt: 176.6 · 176.6±8.0 °C(Predicted)
Dichte: 0.937 · 0.937±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DCM, Methanol
Aggregatzustand: Oil
pka: 13.04 · 13.04±0.46(Predicted)
Farbe: Clear
InChI: InChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8)
InChIKey: JHLVEBNWCCKSGY-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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 (25%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (75%)；Eye Irrit. 2A (75%)；Acute Tox. 4 (50%)；STOT SE 3 (75%)

Sicherheitsdaten

wgk: 3
hs_code: 2924297099
risk_code: 25
hazard_code: T
safety_code: 45
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral