4-(2-티아졸릴)페놀

4-(1,3-Thiazol-2-yl)phenol

HCID 223840CAS 81015-49-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Oc1ccc(-c2nccs2)cc1
InChIKey: PXNRJZLHXKIISI-UHFFFAOYSA-N
분자식: C9H7NOS
평균 분자량: 177.22 g/mol
단동위원소 질량: 177.02483484

이름 및 식별자

우선 이름: 4-(1,3-Thiazol-2-yl)phenol
IUPAC: 4-(1,3-thiazol-2-yl)phenol
현지명: 4-(2-티아졸릴)페놀
영어명: 4-(2-THIAZOLYL)PHENOL
분자식: C9H7NOS
분자량: 177.22

이름 및 동의어

4-(1,3-thiazol-2-yl)phenolDTXSID601001708RefChem:510186DTXCID501428654678-944-34-(2-Thiazolyl)phenol81015-49-84-(THIAZOL-2-YL)PHENOLMFCD07368615MLS002638232NSC118904-thiazol-2-ylphenol

이름 더 보기

4-(2-티아졸릴)페놀2-(4-chlorophenyl)thiazole4-(2-Thiazolyl)4-(2-Thiazolyl)phenol84-(2-Thiazolyl)phenol95%Phenol, 4-(2-thiazolyl)-4-(2-THIAZOLYL)PHENOL 95%4-(3H-1,3-thiazol-2-ylidene)cyclohexa-2,5-dien-1-one

4-Thiazol-2-yl-phenol4-(Thiazol-2-vl)-phenol4-(Thiazol-2-yl)-phenol2-(4-Hydroxyphenyl)thiazoleSCHEMBL466424SCHEMBL4664262-(4-hydroxyphenyl)-thiazoleorb3022643

데이터베이스 식별자

CAS: 81015-49-8
PubChem CID: 223840
DTXSID: DTXSID601001708
ChEMBL: CHEMBL2131269
EC Number: 678-944-3
Nikkaji: J1.524.682K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 61.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 145

물리화학적 성질

녹는점: 162 · 162-165℃
끓는 점: 348.525 · 348.525±44.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.305 · 1.305±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 8.784 · 8.784±0.15(predicted)
InChI: 1S/C9H7NOS/c11-8-3-1-7(2-4-8)9-10-5-6-12-9/h1-6,11H
InChIKey: PXNRJZLHXKIISI-UHFFFAOYSA-N
SMILES: [s]1c(ncc1)c2ccc(cc2)O

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)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.