Methyl phenylcarbamate

HCID 17451CAS 2603-10-3

기본 정보

표준 SMILES: COC(=O)Nc1ccccc1
InChIKey: IAGUPODHENSJEZ-UHFFFAOYSA-N
분자식: C8H9NO2
평균 분자량: 151.16 g/mol
단동위원소 질량: 151.06332853

이름 및 식별자

우선 이름: Methyl phenylcarbamate
IUPAC: methyl N-phenylcarbamate
영어명: N-Phenylcarbamic acid methyl ester
분자식: C8H9NO2
분자량: 151.16

이름 및 동의어

METHYL N-PHENYLCARBAMATEMethyl phenylcarbamateN-Phenylcarbamic acid methyl esterMethyl carbanilateMethyl phenylurethaneMethyl N-phenylurethaneCarbanilic acid, methyl esterCarbamic acid, N-phenyl-, methyl esterB3L1HPI8NJCarbamic acid, phenyl-, methyl esterNSC-36208phenylcarbamic acid methyl ester

이름 더 보기

methylphenylcarbamateMethylN-Phenylcarbamate>N-phenylcoumarin methyl estercarbamicacid,phenyl-,methylester

N-PHENYL-O-METHYLURETHANEDTXSID00180674N-(METHOXYCARBONYL)ANILINEUNII-B3L1HPI8NJNSC 36208METHANOL CARBANILATECarbamic acid, phenyl-, methyl ester (9CI)IAGUPODHENSJEZ-UHFFFAOYSA-

데이터베이스 식별자

CAS: 2603-10-3
PubChem CID: 17451
DTXSID: DTXSID00180674
ChEMBL: CHEMBL4529032
UNII: B3L1HPI8NJ
EC Number: 220-014-2
Nikkaji: J80.527K

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 130

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 47 °C · 47°C
끓는 점: 126 °C · 126 °C / 10mmHg
밀도: 1.2023 · 1.2023 (rough estimate)
굴절률: 1.581 · 1.5810 (estimate)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 13.86 · 13.86±0.70(Predicted)
색상: White to Light yellow to Light red
InChI: InChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey: IAGUPODHENSJEZ-UHFFFAOYSA-N
SMILES: C(OC)(=O)NC1=CC=CC=C1

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.