Phenylcarbamat

Phenyl carbamate

HCID 69322CAS 622-46-8

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Grundinformationen

Standard-SMILES: NC(=O)Oc1ccccc1
InChIKey: BSCCSDNZEIHXOK-UHFFFAOYSA-N
Summenformel: C7H7NO2
Durchschnittliche Molmasse: 137,14 g/mol
Monoisotopische Masse: 137,04767846

Überblick

Phenyl carbamate is an aromatic ether.

Namen und Bezeichner

Bevorzugter Name: Phenyl carbamate
IUPAC: phenyl carbamate
Lokaler Name: Phenylcarbamat
Englischer Name: Phenyl carbamate
Summenformel: C7H7NO2
Molmasse: 137.14

Namen und Synonyme

Phenyl carbamate622-46-8Carbamic acid, phenyl esterCCRIS 5071JKB257U27VEINECS 210-737-1NSC 66509AI3-50866NSC-66509DTXSID20211237Carbamic acid, phenyl ester (8CI)RefChem:861578

Weitere Namen anzeigen

Phenylcarbamate,98+%Phenyl carbamate,97%Phenyl carbaMate 97%CARBAMICACID,PHENYLESTERPhenyl carbamate ISO 9001：2015 REACH

DTXCID20133728Carbamic acid, phenyl ester (8CI)(9CI)210-737-1InChI=1/C7H7NO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H2,8,9O-Phenyl carbamateCarbamic acid phenyl esterphenol carbamateUNII-JKB257U27V

Datenbank-Bezeichner

CAS: 622-46-8
PubChem CID: 69322
DTXSID: DTXSID20211237
ChEMBL: CHEMBL173183
ChEBI: CHEBI:195069
UNII: JKB257U27V
EC Number: 210-737-1
Nikkaji: J126.337D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 119

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSurface tension

LogP1.08

Physikochemische Eigenschaften

Schmelzpunkt: 149 · 149-152 °C(lit.)
Siedepunkt: 251.96 °C · 251.96°C (rough estimate)
Dichte: 1.2528 · 1.2528 (rough estimate)
Brechungsindex: 1.503 · 1.5030 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder
pka: 12.33 · 12.33±0.50(Predicted)
Wasserlöslichkeit: Soluble in water.
BRN: 2042627 · 2042627
InChI: 1S/C7H7NO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChIKey: BSCCSDNZEIHXOK-UHFFFAOYSA-N
SMILES: NC(=O)Oc1ccccc1
CAS Datenbank: 622 · 622-46-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29242998
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenPhenyl carbamate is used as various phenyl carbamate esters derived from amino acids, a dipeptide and amino acid esters and amides were prepared and assessed as potential prodrugs with the aim of protecting phenolic drugs against first-pass metabolism following per oral administration.A tin-catalyzed transcarbamoylation of primary and secondary alcohols with phenyl carbamate proceeds smoothly in toluene at 90℃ to generate the corresponding carbamates in good yields. This mild method exhibits a broad functional-group tolerance.Y. Ichikawa, Y. Morishita, S. Kusaba, N. Sakiyama, Y. Matsuda, K. Nakano, H. Kotsuki, Synlett, 2010, 1815-1818.http://dx.doi.org/10.1055/s-0030-1258102