4-(1,3-티아졸-2-일)벤질알코올

[4-(1,3-Thiazol-2-yl)phenyl]methanol

HCID 24229487

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 454678-91-2
표준 SMILES: OCc1ccc(-c2nccs2)cc1
InChIKey: QOLUYHARONOGNO-UHFFFAOYSA-N
분자식: C10H9NOS
평균 분자량: 191.25 g/mol

개요

[4-(1,3-Thiazol-2-yl)phenyl]methanol is a member of benzyl alcohols.

이름 및 식별자

우선 이름: [4-(1,3-Thiazol-2-yl)phenyl]methanol
IUPAC: [4-(1,3-thiazol-2-yl)phenyl]methanol
현지명: 4-(1,3-티아졸-2-일)벤질알코올
영어명: 4-(1,3-Thiazol-2-yl)benzyl alcohol
분자식: C10H9NOS
분자량: 191.25

이름 및 동의어

454678-91-2[4-(1,3-Thiazol-2-yl)phenyl]methanol(4-(thiazol-2-yl)phenyl)methanol(4-Thiazol-2-yl-phenyl)-methanolMFCD090649504-(Thiazol-2-yl)benzyl alcohol4-(1,3-Thiazol-2-yl)benzyl alcoholSCHEMBL5334194-(thiazol-2-yl)benzylalcoholorb3169987(4-thiazol-2-ylphenyl)methanolCHEBI:195116

이름 더 보기

4-(1,3-티아졸-2-일)벤질알코올Compound Fr127203-(Thiazol-2-yl)benzyl alcohol4-(2-Thiazolyl)benzenemethanolBenzenemethanol, 4-(2-thiazolyl)-4-(1H-Imidazol-5-yl)benzyl alcohol4-(1,3-Thiazol-2-yl)benzyl alcohol 97%

QOLUYHARONOGNO-UHFFFAOYSA-NFr12720SBB091309AKOS005213484AS-6277DB-010201(4-(1,3-thiazol-2-yl)phenyl)methan-1-olG30486

데이터베이스 식별자

CAS: 454678-91-2
PubChem CID: 24229487
ChEBI: CHEBI:195116
EC Number: 173-907-3

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 61.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 157

물리화학적 성질

녹는점: 93.5 · 93.5-97
끓는 점: 363.93 · 363.930±44.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.265 · 1.265±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 14.214 · 14.214±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.