4-Chloro-1H-pyrrolo[2,3-b]pyridine (HCID 11389493)

이름 및 식별자

우선 이름: 4-Chloro-1H-pyrrolo[2,3-b]pyridine
IUPAC: 4-chloro-1H-pyrrolo[2,3-b]pyridine
영어명: 4-Chloro-7-azaindole
분자식: C7H5ClN2
분자량: 152.58

이름 및 동의어

4-chloro-1H-pyrrolo[2,3-b]pyridine4-Chloro-1H-pyrrolo(2,3-b)pyridineRefChem:520811626-806-84-CHLORO-7-AZAINDOLE55052-28-3MFCD082722324-chlor-1H-pyrrolo[2,3-b]pyridinSCHEMBL1006514-Chloro-7-azaindole, 97%CHEMBL4204893DTXSID50464294

이름 더 보기

IFLAB-BB F2108-0145SW-61SWF-61oro-7-azaindoL4-Chlro-7-Azindole4-chloro-7-azindole4-Chloro-7-Nazaindole4-Chloro-7-azaindole ,97%

CS-B0097PB29499C2470EN300-99341AN-584/434168981H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO-4-choro-7-azaindoleAM20061315

데이터베이스 식별자

CAS: 55052-28-3
PubChem CID: 11389493
DTXSID: DTXSID50464294
ChEMBL: CHEMBL4204893
EC Number: 626-806-8
Nikkaji: J2.293.599B

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 129

물리화학적 성질

녹는점: 176 · 176-181 °C
밀도: 1.425 · 1.425±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 12.98 · 12.98±0.40(Predicted)
색상: 밝은 노란색에서 갈색까지
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
InChIKey: HNTZVGMWXCFCTA-UHFFFAOYSA-N
SMILES: C12NC=CC1=C(Cl)C=CN=2

화학적 성질

White to brown solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (92.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (94.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (98.1%): 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+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 52 reports by companies from 8 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. 3 (92.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (94.2%)；STOT SE 3 (98.1%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 29339900
risk_code: 22-37/38-41
hazard_code: Xi,Xn
safety_code: 26-39
포장분류: Ⅲ
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 2건

개요4-Chloro-7-azaindole belongs to the class of azaindole compounds, which has anticancer, antibacterial, antiviral and other biological activities. 4-Chloro-7-azaindole is mainly used as an organic intermediate in the preparation of 7-azaindole derivatives, GDC-0575, and Janus kinase inhibitors.

용도4-Chloro-7-azaindole can be used as a useful intermediate for drug discovery research.

제조 방법 · 1건

Using 7-azaindole as the raw material, hydrogen peroxide was used to carry out N-oxidation reaction to generate N-oxide. In the reaction between POCl and N-oxide, diisopropylethylamine (DIPEA) was added as a catalyst to increase the yield. After the reaction was completed, 4-Chloro-7-azaindole was obtained by alkalization treatment with a yield of up to 85.6%.

상·하류 제품 정보

상류 원료

하류 제품

4-Cyano-7-azaindole 4-하이드록시메틸-7-아자인돌 4-Chloro-5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine 메틸4-클로로-1H-피롤로[2,3-b]피리딘-5-카르복실레이트 (4-클로로-7H-피롤로[2,3-d]피리미딘-7-일)메틸피발레이트 1H-피롤로[2,3-B]피리딘-4-카르복실산 4-Methoxy-7-azaindole 4-Iodo-7-azaindole (4-Chloro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-dimethyl-amine

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]

阜新孚隆宝医药科技有限公司15901742157 · [email protected]

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

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

연결된 노트

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4-Chloro-1H-pyrrolo[2,3-b]pyridine

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