Phenyl carbamate

HCID 69322CAS 622-46-8
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)Oc1ccccc1
InChIKey
BSCCSDNZEIHXOK-UHFFFAOYSA-N
Molecular formula
C7H7NO2
Average molar mass
137.14 g/mol
Monoisotopic mass
137.04767846

Overview

Phenyl carbamate is an aromatic ether.

Names & identifiers

Preferred name
Phenyl carbamate
IUPAC
phenyl carbamate
English name
Phenyl carbamate
Molecular formula
C7H7NO2
Molecular weight
137.14

Names & synonyms

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

Database identifiers

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

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesSurface tension
LogP1.08

Physicochemical properties

Melting point
149 · 149-152 °C(lit.)
Boiling point
251.96 °C · 251.96°C (rough estimate)
Density
1.2528 · 1.2528 (rough estimate)
refractive index
1.503 · 1.5030 (estimate)
storage temp.
Sealed in dry,Room Temperature
form
powder

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29242998
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25

Chemistry & industry

Applications · 2 items

UsesPhenyl Carbamate is a robust, inert to Pd-catalysis reagent which are useful for arene functionalization/site-selective cross-coupling reactions.

UsesPhenyl 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

Upstream & downstream products

Suppliers50 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]

Additional notes

DefinitionChEBI: Phenyl carbamate is an aromatic ether.

Related reactions

47 records
New reaction record

Linked notes

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