4-(1,2,3-티아디아졸-4-일)페놀

4-(1,2,3-Thiadiazol-4-Yl)Phenol

HCID 2796860

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59834-05-8
표준 SMILES: Oc1ccc(-c2csnn2)cc1
InChIKey: WZYGGUZFRLVCJT-UHFFFAOYSA-N
분자식: C8H6N2OS
평균 분자량: 178.21 g/mol
단동위원소 질량: 178.02008399

이름 및 식별자

우선 이름: 4-(1,2,3-Thiadiazol-4-Yl)Phenol
IUPAC: 4-(thiadiazol-4-yl)phenol
현지명: 4-(1,2,3-티아디아졸-4-일)페놀
영어명: 4-(1,2,3-THIADIAZOL-4-YL)PHENOL
분자식: C8H6N2OS
분자량: 178.21

이름 및 동의어

4-(1,2,3-Thiadiazol-4-Yl)Phenol59834-05-8DTXSID90383859RefChem:286557DTXCID10334883674-370-24-(thiadiazol-4-yl)phenolMFCD000521064-(1,2,3-thiadiazol-4-yl)-phenolBionet2_000865SCHEMBL1673852WZYGGUZFRLVCJT-UHFFFAOYSA-N

이름 더 보기

4-(1,2,3-티아디아졸-4-일)페놀4-(4-thiadiazolyl)phenol4-(1,2,3-THIADIAZOL-4-YL)BENZENOLPhenol, 4-(1,2,3-thiadiazol-4-yl)-4-(1,2,3-Thiadiazol-4-yl)phenol 95+%4-(1,2,3-Thiadiazol-4-yl)phenol ,97%4-(4-HYDROXYPHENYL)-1,2,3-THIADIAZOLE

HMS1366H07JCA834054-[1,2,3]thiadiazol-4-yl-phenolSBB0793384-[1,2,3]-thiadiazol-4-yl-phenolAKOS0062294034-(4-hydroxyphenyl)1,2,3-thiadiazole4-(4-hydroxyphenyl)1,2,3-thia-diazole

데이터베이스 식별자

CAS: 59834-05-8
PubChem CID: 2796860
DTXSID: DTXSID90383859
EC Number: 674-370-2
Nikkaji: J2.743.330H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 74.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 148

물리화학적 성질

끓는 점: 105 · 105/0.75mm
물리적 상태: 고체
색상: 갈색
InChI: 1S/C8H6N2OS/c11-7-3-1-6(2-4-7)8-5-12-10-9-8/h1-5,11H
InChIKey: WZYGGUZFRLVCJT-UHFFFAOYSA-N
SMILES: OC1=CC=C(C=C1)C2=CSN=N2

화학적 성질

Yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；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.