5-브로모-2-메틸벤조티아졸

5-Bromo-2-methylbenzothiazole

HCID 3017457

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 63837-11-6
표준 SMILES: Cc1nc2cc(Br)ccc2s1
InChIKey: OLQKNZNXLBILDD-UHFFFAOYSA-N
분자식: C8H6BrNS
평균 분자량: 228.11 g/mol
단동위원소 질량: 226.94043229

이름 및 식별자

우선 이름: 5-Bromo-2-methylbenzothiazole
IUPAC: 5-bromo-2-methyl-1,3-benzothiazole
현지명: 5-브로모-2-메틸벤조티아졸
영어명: 5-Bromo-2-methylbenzothiazole
분자식: C8H6BrNS
분자량: 228.11

이름 및 동의어

5-Bromo-2-methylbenzothiazole63837-11-6EINECS 264-510-7RefChem:102144264-510-75-bromo-2-methyl-1,3-benzothiazole2-Methyl-5-bromobenzothiazoleBenzothiazole, 5-bromo-2-methyl-5-bromo-2-methyl-benzothiazole5-BROMO-2-METHYBENZOTHIAZOLEBromomethylbenzothiazoleMFCD00603096

이름 더 보기

5-브로모-2-메틸벤조티아졸8-Quinolinol magnesium complex

5-Bromo-2-methyl-1,3-benzthiazole5-bromo-2-methylbenzo[d]thiazole5-Bromo-2-methyl benzothiazole5-BROMO-2-METHYLBENZSCHEMBL2022985-BroMo-2-Mehyl benzothiazoleSCHEMBL30181739DTXSID70980481

데이터베이스 식별자

CAS: 63837-11-6
PubChem CID: 3017457
DTXSID: DTXSID70980481
EC Number: 264-510-7
Nikkaji: J286.577G

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 153

물리화학적 성질

녹는점: 79 °C · 79°C
끓는 점: 170 °C · 170 °C / 10mmHg
밀도: 1.644 · 1.644±0.06 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
산도 계수 (pKa): 1.14 · 1.14±0.10(Predicted)
물리적 상태: powder to crystal
색상: White to Orange to Green
InChI: InChI=1S/C8H6BrNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey: OLQKNZNXLBILDD-UHFFFAOYSA-N
SMILES: S1C2=CC=C(Br)C=C2N=C1C

화학적 성질

Light yellow solid

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.