4-브로모-2-메틸티아졸

4-Bromo-2-methyl-1,3-thiazole

HCID 2763186

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 298694-30-1
표준 SMILES: Cc1nc(Br)cs1
InChIKey: LYRXILTUZBBMNS-UHFFFAOYSA-N
분자식: C4H4BrNS
평균 분자량: 178.05 g/mol
단동위원소 질량: 176.92478

이름 및 식별자

우선 이름: 4-Bromo-2-methyl-1,3-thiazole
IUPAC: 4-bromo-2-methyl-1,3-thiazole
현지명: 4-브로모-2-메틸티아졸
영어명: 4-Bromo-2-methylthiazole
분자식: C4H4BrNS
분자량: 178.05

이름 및 동의어

4-bromo-2-methyl-1,3-thiazoleRefChem:519749685-581-44-Bromo-2-methylthiazole298694-30-1MFCD064099454-bromo-2-methyl-thiazole2-methyl-4-bromo-thiazoleSCHEMBL103196DTXSID40376796AKOS006344216PS-6069

이름 더 보기

4-브로모-2-메틸티아졸2-Methyl-4-bromothiazole4-Bromo-2-methylthiazole 98%4-Bromo-2-(methyl-d3)-thiazole

SY019472CS-0044498EN300-130703Thiazole, 4-bromo-2-methyl-AMY34939SCHEMBL26617152SCHEMBL282090034-bromo-2-methylthiazole, AldrichCPR

데이터베이스 식별자

CAS: 298694-30-1
PubChem CID: 2763186
DTXSID: DTXSID40376796
EC Number: 685-581-4

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 68

물리화학적 성질

끓는 점: 199.2 · 199.2±13.0 °C(Predicted)
밀도: 1.702 · 1.702±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 0.66 · 0.66±0.10(Predicted)
물리적 상태: 액체
색상: 무색

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 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.