Phenyl carbamate

HCID 69322CAS 622-46-8

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기본 정보

표준 SMILES: NC(=O)Oc1ccccc1
InChIKey: BSCCSDNZEIHXOK-UHFFFAOYSA-N
분자식: C7H7NO2
평균 분자량: 137.14 g/mol
단동위원소 질량: 137.04767846

개요

Phenyl carbamate is an aromatic ether.

이름 및 식별자

우선 이름: Phenyl carbamate
IUPAC: phenyl carbamate
영어명: Phenyl carbamate
분자식: C7H7NO2
분자량: 137.14

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 119

실험 및 물리화학적 성질

SpringerMaterials PropertiesSurface tension

LogP1.08

물리화학적 성질

녹는점: 149 · 149-152 °C(lit.)
끓는 점: 251.96 °C · 251.96°C (rough estimate)
밀도: 1.2528 · 1.2528 (rough estimate)
굴절률: 1.503 · 1.5030 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder
산도 계수 (pKa): 12.33 · 12.33±0.50(Predicted)
수용성: 물에 용해됩니다.
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

화학적 성질

white to very slightly pink crystalline flakes

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29242998
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Phenyl 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