5-플루오로-2-옥신돌

5-fluoro-1,3-dihydro-2H-indol-2-one

HCID 3731012CAS 56341-41-4

기본 정보

표준 SMILES
O=C1Cc2cc(F)ccc2N1
InChIKey
DDIIYGHHUMKDGI-UHFFFAOYSA-N
분자식
C8H6FNO
평균 분자량
151.14 g/mol
단동위원소 질량
151.04334198

이름 및 식별자

우선 이름
5-fluoro-1,3-dihydro-2H-indol-2-one
IUPAC
5-fluoro-1,3-dihydroindol-2-one
현지명
5-플루오로-2-옥신돌
영어명
5-Fluoro-2-oxindole
분자식
C8H6FNO
분자량
151.14

이름 및 동의어

5-fluoro-1,3-dihydroindol-2-one5-fluoro-1,3-dihydro-2H-indol-2-oneRefChem:535646638-803-95-Fluorooxindole56341-41-45-Fluoro-2-oxindole5-fluoroindolin-2-one5-fluoro-2,3-dihydro-1H-indol-2-one2H-Indol-2-one, 5-fluoro-1,3-dihydro-5-Fluoro-2-oxoindolineMFCD02179598
이름 더 보기
5-플루오로-2-옥신돌5-FLUORO-2-OXYINDOLEuorooxindoL5-FLUROOXINDOLE5-Fluoroindolinone5-Fluorooxindole98%
4EW64J5JHCCHEMBL61480025-Fluoranyl-1,3-dihydroindol-2-oneFLUOROOXINDOLEOxindole derivative5-Fluoro-2-indolinone5-Fluoro-1,3-dihydro-indol-2-one5-Fluorooxindole (5-Fluoro-1,3-dihydro-2H-indol-2-one)

데이터베이스 식별자

CAS
56341-41-4
PubChem CID
3731012
DTXSID
DTXSID40395649
ChEMBL
CHEMBL6148002
UNII
4EW64J5JHC
EC Number
638-803-9
Nikkaji
J416.476H

물성

구조 계산 물성

XLogP
1.3
극성 표면적
29.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
11

물리화학적 성질

녹는점
143 · 143-147 °C (lit.)
끓는 점
307.2 · 307.2±42.0 °C(Predicted)
밀도
1.311 · 1.311±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
12.99 · 12.99±0.20(Predicted)

화학적 성질

Light Yellow Crystalline

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.7% (1 of 37) of reports.

Danger

H301 (78.4%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (18.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (18.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (18.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 37 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 37 reports by companies.;There are 3 notifications provided by 36 of 37 reports by companies with hazard statement code(s).;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. 3 (78.4%);Skin Irrit. 2 (18.9%);Eye Irrit. 2A (18.9%);STOT SE 3 (18.9%)

안전 데이터

wgk
3
HS 번호
29339900
risk_code
36/37/38-34
hazard_code
Xi,C
safety_code
22-24/25-45-36/37/39-27-26
위험 등급
IRRITANT, KEEP COLD

화학 및 산업

응용 분야

용도5-Fluoro-2-oxindole (cas# 56341-41-4) is a compound useful in organic synthesis.

제조 방법 · 1건

synthesis of 5-fluoro-2-oxindole: 4-fluoroaniline was used as the starting material, reacted with chloral hydrate and hydroxylamine hydrochloride to generate 4-fluoroisonitrosoacetanilide, and then cyclized under the action of concentrated sulfuric acid to form the compound 5-fluoroisatin was finally obtained by wolff-kishner-huang minlon reduction to obtain 5-fluoro-2-oxindole with a total yield of 66%.

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
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]
上海宇之诚医药科技有限公司13361818591 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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347건

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