2-Phenyl-5-(trifluoromethyl)-oxazole-4-carboxylic acid

HCID 2776438

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 236736-23-5
표준 SMILES: O=C(O)c1nc(-c2ccccc2)oc1C(F)(F)F
InChIKey: PYCFLCQAJFEELT-UHFFFAOYSA-N
분자식: C11H6F3NO3
평균 분자량: 257.16 g/mol
단동위원소 질량: 257.02997771

이름 및 식별자

우선 이름: 2-Phenyl-5-(trifluoromethyl)-oxazole-4-carboxylic acid
IUPAC: 2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
영어명: 2-PHENYL-5-(TRIFLUOROMETHYL)-OXAZOLE-4-CARBOXYLICACID
분자식: C11H6F3NO3
분자량: 257.17

이름 및 동의어

2-phenyl-5-(trifluoromethyl)-oxazole-4-carboxylic acid2-phenyl-5-trifluoromethyloxazole-4-carboxylic acidRefChem:478095671-220-8236736-23-52-Phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acidMFCD002032514-Oxazolecarboxylic acid, 2-phenyl-5-(trifluoromethyl)-4-Carboxy-2-phenyl-5-(trifluoromethyl)-1,3-oxazolePeakdale1_000411HMS519C15

이름 더 보기

2-phenyl-5-(trifluoroMethyl)-oxazole-4-carboxylate acid2-Phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid 95+%

2-Phenyl-5-(trifluoromethyl)oxazole-4-carboxylicacidSCHEMBL164119DTXSID00380076SBB053179AKOS015840534PS-6460SY364743CS-0156389

데이터베이스 식별자

CAS: 236736-23-5
PubChem CID: 2776438
DTXSID: DTXSID00380076
EC Number: 671-220-8

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 315

물리화학적 성질

녹는점: 170 · 170~172℃
끓는 점: 381.3 · 381.3±52.0 °C(Predicted)
밀도: 1.454 · 1.454±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.38 · 2.38±0.36(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.