CAS 1092400-82-2 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid (HCID 25180854)

기본 정보

CAS: 1092400-82-2
표준 SMILES: O=C(O)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIKey: ZTOAUVQUTVRHBJ-UHFFFAOYSA-N
분자식: C10H5F3N2O3
평균 분자량: 258.15 g/mol
단동위원소 질량: 258.02522668

이름 및 식별자

우선 이름: 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
IUPAC: 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid
현지명: 3-(5-(트리플루오로메틸)-1,2,4-옥사디아졸-3-일)벤조이산
영어명: 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
분자식: C10H5F3N2O3
분자량: 258.15

이름 및 동의어

1092400-82-23-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acidDTXSID00648966RefChem:274914DTXCID90599716866-898-93-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacidMFCD09907879CHEMBL5078173-(3-Carboxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole3-(5-(Trifluoromethyl)-124-oxadiazol-3-yl)benzoic acid

이름 더 보기

3-(5-(트리플루오로메틸)-1,2,4-옥사디아졸-3-일)벤조이산3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)thiophene-2,5-diyldiMethanolBenzoic acid, 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-

SCHEMBL2224875ZB0356AKOS015918240AC-22817SY042990DB-024847CS-0060396EN300-179518

데이터베이스 식별자

CAS: 1092400-82-2
PubChem CID: 25180854

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 76.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 324

물리화학적 성질

녹는점: 114 · 114-117℃
끓는 점: 365 ℃ · 365℃
밀도: 1.45 · 1.45
인화점: 175 ℃ · 175℃
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.54 · 3.54±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.