1-(5-CHLOROPYRIDIN-2-YL)에타논

1-(5-Chloropyridin-2-yl)ethan-1-one

HCID 10154166CAS 94952-46-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1ccc(Cl)cn1
InChIKey: VVYMEQBXUFPILB-UHFFFAOYSA-N
분자식: C7H6ClNO
평균 분자량: 155.58 g/mol
단동위원소 질량: 155.0137915

이름 및 식별자

우선 이름: 1-(5-Chloropyridin-2-yl)ethan-1-one
IUPAC: 1-(5-chloro-2-pyridinyl)ethanone
현지명: 1-(5-CHLOROPYRIDIN-2-YL)에타논
영어명: 1-(5-Chloropyridin-2-yl)ethanone
분자식: C7H6ClNO
분자량: 155.58

이름 및 동의어

1-(5-CHLOROPYRIDIN-2-YL)ETHAN-1-ONERefChem:426414833-114-11-(5-chloropyridin-2-yl)ethanone94952-46-22-Acetyl-5-chloropyridineMFCD07375071Ethanone, 1-(5-chloro-2-pyridinyl)-1-(5-Chloro-2-pyridyl)ethanoneSCHEMBL1788326EX-A7846PDTXSID30436217

이름 더 보기

1-(5-CHLOROPYRIDIN-2-YL)에타논KML-81KML-1131-(5-chloro-2-pyridinyl)ethanone1-(5-CHLOROPYRIDIN-2-YL)ETHANONE ISO 9001：2015 REACH

AMY7885VVYMEQBXUFPILB-UHFFFAVVYMEQBXUFPILB-UHFFFAOYSA-NAKOS006285359AB41101FS-3462AC-33333SY022264

데이터베이스 식별자

CAS: 94952-46-2
PubChem CID: 10154166
DTXSID: DTXSID30436217
EC Number: 833-114-1

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 138

물리화학적 성질

끓는 점: 236.8 · 236.8±20.0 °C(Predicted)
밀도: 1.233 · 1.233±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 0.72 · 0.72±0.10(Predicted)
InChI: InChI=1S/C7H6ClNO/c1-5(10)7-3-2-6(8)4-9-7/h2-4H,1H3
InChIKey: VVYMEQBXUFPILB-UHFFFAOYSA-N
SMILES: C(=O)(C1=NC=C(Cl)C=C1)C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 2 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 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2933399990

화학 및 산업

응용 분야

용도1-(5-chloropyridin-2-yl)ethanone is used as an intermediate of Nirogacestat, mainly used in the treatment of fibroma.

상·하류 제품 정보

상류 원료

공급사50 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海策嵘生物科技有限公司[email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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