2-클로로-6-메톡시벤조티아졸

2-Chloro-6-methoxybenzothiazole

HCID 273132CAS 2605-14-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc2nc(Cl)sc2c1
InChIKey: FVUFTABOJFRHSU-UHFFFAOYSA-N
분자식: C8H6ClNOS
평균 분자량: 199.66 g/mol
단동위원소 질량: 198.9858627

이름 및 식별자

우선 이름: 2-Chloro-6-methoxybenzothiazole
IUPAC: 2-chloro-6-methoxy-1,3-benzothiazole
현지명: 2-클로로-6-메톡시벤조티아졸
영어명: 2-Chloro-6-methoxybenzothiazole
분자식: C8H6ClNOS
분자량: 199.66

이름 및 동의어

2605-14-32-Chloro-6-methoxybenzothiazoleDTXSID70297788RefChem:86342DTXCID00248925626-293-02-chloro-6-methoxybenzo[d]thiazole2-chloro-6-methoxy-1,3-benzothiazolebenzothiazole, 2-chloro-6-methoxy-MFCD006715102-Chloro-6-methoxy-benzothiazole2-Chloro-6-methoxy-1,3-benzothiazol

이름 더 보기

2-클로로-6-메톡시벤조티아졸NSC 118120IFLAB-BB F1910-0014Chloromethoxybenzothiazole2-Chloro-6-methoxybenzothiazole 97%

6-METHOXY-2-CHLOROBENZOTHIAZOLENSC118120SCHEMBL144993IFLab1_006362SCHEMBL289411932-chloro-6-methoxy benzothiazole2-chloro-6-methoxybenzo-thiazoleFVUFTABOJFRHSU-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 2605-14-3
PubChem CID: 273132
DTXSID: DTXSID70297788
EC Number: 626-293-0、923-874-3

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 50.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 52 · 52-56 °C
끓는 점: 133 °C · 133 °C / 7mmHg
밀도: 1.404 · 1.404±0.06 g/cm3(Predicted)
인화점: 110 °C · 110 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 0.53 · 0.53±0.10(Predicted)
색상: White to Orange to Green
InChI: InChI=1S/C8H6ClNOS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3
InChIKey: FVUFTABOJFRHSU-UHFFFAOYSA-N
SMILES: S1C2=CC(OC)=CC=C2N=C1Cl

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.