6-브로모-1,3-벤조티아졸

6-Bromo-1,3-benzothiazole

HCID 2795171

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 53218-26-1
표준 SMILES: Brc1ccc2ncsc2c1
InChIKey: YJOUISWKEOXIMC-UHFFFAOYSA-N
분자식: C7H4BrNS
평균 분자량: 214.08 g/mol
단동위원소 질량: 212.92478

이름 및 식별자

우선 이름: 6-Bromo-1,3-benzothiazole
IUPAC: 6-bromo-1,3-benzothiazole
현지명: 6-브로모-1,3-벤조티아졸
영어명: 6-Bromobenzothiazole
분자식: C7H4BrNS
분자량: 214.08

이름 및 동의어

6-bromo-1,3-benzothiazoleRefChem:540524688-067-86-Bromobenzothiazole53218-26-16-bromobenzo[d]thiazole6-Bromo-benzothiazoleMFCD04115372SCHEMBL10543Benzothiazole, 6-bromo-DTXSID60383563CS-W003182

이름 더 보기

6-브로모-1,3-벤조티아졸6-Bromobenzthiazol6-Bromobenzothiazole,97%Benzothiazole, 6-bromo- (9CI)6-Bromo-1,3-benzothiazole 97%6-Bromo-1,3-benzothiazole ,97%

AB19945FS-2687BP-10781SY019446EN300-3143776-BROMO-BENZO[D]THIAZOLE6-bromanyl-1,3-benzothiazoleA7742

데이터베이스 식별자

CAS: 53218-26-1
PubChem CID: 2795171
DTXSID: DTXSID60383563
ChEMBL: CHEMBL5277617
EC Number: 688-067-8
Nikkaji: J2.502.701I

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 131

물리화학적 성질

녹는점: 52 · 52-54℃
끓는 점: 143 °C · 143 °C(Press: 12 Torr)
밀도: 1.748 · 1.748±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: Solid
산도 계수 (pKa): 0.21 · 0.21±0.10(Predicted)
색상: Off-white to yellow

화학적 성질

Off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): 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, 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 6 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

안전 데이터

ridadr: 2811
HS 번호: 29339900
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-37/39

화학 및 산업

응용 분야

용도6-Bromobenzothiazole is a benzothiazole analogue. It can be used as a pharmaceutical intermediate or a raw material for the preparation of other aza-aromatic compounds.