CAS 5874-61-3 4-Benzyl-2-phenyl-2-oxazolin-5-one (HCID 2756650)

기본 정보

CAS: 5874-61-3
표준 SMILES: O=C1OC(c2ccccc2)=NC1Cc1ccccc1
InChIKey: RWJSXVNLBHUVDP-UHFFFAOYSA-N
분자식: C16H13NO2
평균 분자량: 251.28 g/mol
단동위원소 질량: 251.09462866

이름 및 식별자

우선 이름: 4-Benzyl-2-phenyl-2-oxazolin-5-one
IUPAC: 4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
현지명: 4-벤질-2-페닐-2-옥사졸린-5-온
영어명: 4-Benzyl-2-phenyl-2-oxazoline-5-one
분자식: C16H13NO2
분자량: 251.28

이름 및 동의어

4-benzyl-2-phenyl-2-oxazolin-5-one2-phenyl-4-(phenylmethyl)-5(4H)-oxazoloneRefChem:518462663-170-05874-61-34-Benzyl-2-phenyl-2-oxazoline-5-one4-benzyl-2-phenyloxazol-5(4H)-one4-benzyl-2-phenyl-4H-1,3-oxazol-5-oneMFCD001573494-benzyl-2-phenyl-2,5-dihydro-1,3-oxazol-5-one4-BENZYL-2-PHENYL-4H-OXAZOL-5-ONESCHEMBL5711327

이름 더 보기

4-벤질-2-페닐-2-옥사졸린-5-온5(4H)-Oxazolone, 2-phenyl-4-(phenylmethyl)-

DTXSID80373466RWJSXVNLBHUVDP-UHFFFAOYSA-N2-phenyl-4-benzyl-5(4h)-oxazoloneAKOS024341041SY106628DB-0532544-Benzyl-2-phenyl-1,3-oxazol-5(4H)-oneCS-0156330

데이터베이스 식별자

CAS: 5874-61-3
PubChem CID: 2756650
DTXSID: DTXSID80373466
EC Number: 663-170-0
Nikkaji: J647.346F

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 352

물리화학적 성질

녹는점: 68 · 68-69 °C
끓는 점: 375.4 · 375.4±25.0 °C(Predicted)
밀도: 1.17 · 1.17±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.56 · 2.56±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, 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.