4-(티오펜-3-일)페놀

4-(Thiophen-3-yl)phenol

HCID 4130342

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 29886-67-7
표준 SMILES: Oc1ccc(-c2ccsc2)cc1
InChIKey: OSVHLBAYRTYKBI-UHFFFAOYSA-N
분자식: C10H8OS
평균 분자량: 176.24 g/mol
단동위원소 질량: 176.02958605

이름 및 식별자

우선 이름: 4-(Thiophen-3-yl)phenol
IUPAC: 4-thiophen-3-ylphenol
현지명: 4-(티오펜-3-일)페놀
영어명: 4-(Thiophen-3-yl)phenol
분자식: C10H8OS
분자량: 176.23

이름 및 동의어

4-(Thiophen-3-yl)phenol29886-67-7DTXSID80399661RefChem:289483DTXCID60350518624-425-14-thiophen-3-ylphenolMFCD067981334-(3-thienyl)phenol4-(Thiophen-3-yl)phenol 974-Thiophen-3-yl-phenolSCHEMBL649500

이름 더 보기

4-(티오펜-3-일)페놀4-(티오펜-3-YL)페놀97Phenol, 4-(3-thienyl)-4-(THIOPHEN-3-YL)PHENOL 974-(Thiophen-3-yl)phenol 97%

SCHEMBL10933243SCHEMBL29213114OSVHLBAYRTYKBI-UHFFFAOYSA-N4-(Thiophen-3-yl)phenol, 97%AKOS004114138BS-27743CS-0204282H55697

데이터베이스 식별자

CAS: 29886-67-7
PubChem CID: 4130342
DTXSID: DTXSID80399661
EC Number: 624-425-1
Nikkaji: J2.974.819E

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 48.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 141

물리화학적 성질

녹는점: 194 · 194-198 °C (lit.)
끓는 점: 276.8 · 276.8±15.0 °C(Predicted)
밀도: 1.235 · 1.235±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.59 · 9.59±0.13(Predicted)
물리적 상태: solid
InChI: 1S/C10H8OS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,11H
InChIKey: OSVHLBAYRTYKBI-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1)-c2ccsc2

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.