4,5-DIHYDRO-2-페닐옥사졸

2-Phenyl-2-oxazoline

HCID 244030CAS 7127-19-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1ccc(C2=NCCO2)cc1
InChIKey: ZXTHWIZHGLNEPG-UHFFFAOYSA-N
분자식: C9.H9.N.O
평균 분자량: 147.17 g/mol
단동위원소 질량: 147.06841391

개요

structure in first source

이름 및 식별자

우선 이름: 2-Phenyl-2-oxazoline
IUPAC: 2-phenyl-4,5-dihydro-1,3-oxazole
현지명: 4,5-DIHYDRO-2-페닐옥사졸
영어명: 4,5-DIHYDRO-2-PHENYLOXAZOLE
분자식: C9H9NO
분자량: 147.17

이름 및 동의어

7127-19-72-Phenyl-2-oxazolineDTXSID30288157RefChem:478048DTXCID10239304615-271-62-Phenyl-4,5-dihydrooxazole4,5-Dihydro-2-phenyloxazole2-Phenyl-4,5-dihydro-1,3-oxazoleoxazole, 4,5-dihydro-2-phenyl-2-phenyloxazolineMFCD00075541

이름 더 보기

4,5-DIHYDRO-2-페닐옥사졸oxazolinylbenzene2-Phenyl-2-oxazoline 99%4,5-Dihydro-2-phenyloxazole>(4,5-DIHYDRO-2-OXAZOLYL)BENZENE2-PHENYL-4,5-DIHYDROOXAZOLE 98%

2-Phenyl(2-oxazoline)SCHEMBL84185CHEMBL3323438BDBM50497964AKOS005362465SY052471D2155F19688

데이터베이스 식별자

CAS: 7127-19-7
PubChem CID: 244030
DTXSID: DTXSID30288157
ChEMBL: CHEMBL3323438
EC Number: 615-271-6
Nikkaji: J81.331A

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 21.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 159

실험 및 물리화학적 성질

Density1.118 @25 °C

Boiling Point75 °C @760 [mm Hg]

물리화학적 성질

녹는점: 12 °C · 12 °C(lit.)
끓는 점: 75 °C0.3 · 75 °C0.3 mm Hg(lit.)
밀도: 1.118 g/mL · 1.118 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.567(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): 4.69 · 4.69±0.50(Predicted)
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
InChI: InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2
InChIKey: ZXTHWIZHGLNEPG-UHFFFAOYSA-N
SMILES: O1CCN=C1C1=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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.