6-브로모-1,3-디하이드로-2H-인돌-2-온

6-bromo-2,3-dihydro-1H-indol-2-one

HCID 2773289CAS 99365-40-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1Cc2ccc(Br)cc2N1
InChIKey: JARRYVQFBQVOBE-UHFFFAOYSA-N
분자식: C8H6BrNO
평균 분자량: 212.04 g/mol
단동위원소 질량: 210.96328

이름 및 식별자

우선 이름: 6-bromo-2,3-dihydro-1H-indol-2-one
IUPAC: 6-bromo-1,3-dihydroindol-2-one
현지명: 6-브로모-1,3-디하이드로-2H-인돌-2-온
영어명: 6-Bromo-1,3-dihydro-2H-indol-2-one
분자식: C8H6BrNO
분자량: 212.04

이름 및 동의어

6-BROMO-2,3-DIHYDRO-1H-INDOL-2-ONERefChem:540645800-899-76-Bromooxindole99365-40-96-bromoindolin-2-one6-Bromo-2-oxindole6-Bromo-1,3-dihydro-2H-indol-2-one6-bromo-1,3-dihydroindol-2-oneMFCD021796056-Bromo-2-indolinoneCHEMBL2381492

이름 더 보기

6-브로모-1,3-디하이드로-2H-인돌-2-온B71130SWF-136-Bromoxoindole6-Bromooxoindole6-broMooxiindoleBROMOOXINDOLE (6-)6-Bromo-2-oxyndole

6-bromooxindol6-BROMO-1,3-DIHYDRO-INDOL-2-ONE6-BROMO-2-OXYINDOLE2H-INDOL-2-ONE, 6-BROMO-1,3-DIHYDRO-6-bromoxindole6-bromoindolinone6-Bromo-oxindoleMFCD22576660

데이터베이스 식별자

CAS: 99365-40-9
PubChem CID: 2773289
DTXSID: DTXSID90378341
ChEMBL: CHEMBL2381492
EC Number: 800-899-7
Nikkaji: J2.211.139F

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 183

물리화학적 성질

녹는점: 217 · 217-221 °C(lit.)
끓는 점: 343.6 · 343.6±42.0 °C(Predicted)
밀도: 1.666 · 1.666±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 에 용해됨DMSO
물리적 상태: 고체
산도 계수 (pKa): 13.39 · 13.39±0.20(Predicted)
색상: 오렌지 레드
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKey: JARRYVQFBQVOBE-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(Br)=C2)CC1=O

화학적 성질

Light yelllow crystal

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): 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 (33.3%): 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 3 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 CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-24/25
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도6-Bromo-2-Oxindole is an indolinone derivative used for the preparation of p38α inhibitors as potential antiinflammatories.

상·하류 제품 정보

하류 제품

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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