3-Hydroxyazetidine hydrochloride

HCID 2759290CAS 18621-18-6

기본 정보

표준 SMILES: Cl.OC1CNC1
InChIKey: UQUPQEUNHVVNKW-UHFFFAOYSA-N
분자식: C3H8ClNO
평균 분자량: 109.55 g/mol
단동위원소 질량: 109.02944156

이름 및 식별자

우선 이름: 3-Hydroxyazetidine hydrochloride
IUPAC: azetidin-3-ol;hydrochloride
영어명: 3-Hydroxyazetidine hydrochloride
분자식: C3H8ClNO
분자량: 109.55

이름 및 동의어

3-Hydroxyazetidine hydrochloride18621-18-6DTXSID30374721RefChem:94255DTXCID10325751628-004-3Azetidin-3-ol Hydrochlorideazetidin-3-ol hcl3-Hydroxyazetidine HClazetidin-3-ol hydrochloride saltMFCD02683887azetidin-3-ol;hydrochloride

이름 더 보기

Azetidin-3-ol hydrochloride, 3-Hydroxyazetane hydrochlorideAZETAN-2-ONEBUTTPARK 75\04-67Azetidine-3-ol.HclBaricitinib-009-HCl3-hydroxyazatidine HCl3-Hydroxyl-azetidine HCl

3-Azetidinol HydrochlorideAzetidin-3-ol (hydrochloride)azetidine-3-ol hydrochloride3-hydroxyazetidinium chlorideazetidin-3-ol, hydrochloride3-hydroxy-azetidinium chlorideazetidin-3-ol monohydrochloride3-hydroxy azetidine hydrochloride

데이터베이스 식별자

CAS: 18621-18-6
PubChem CID: 2759290
DTXSID: DTXSID30374721
EC Number: 628-004-3

물성

구조 계산 물성

극성 표면적: 32.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 33.9

물리화학적 성질

녹는점: 85 · 85-90 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 황백색까지
수용성: 물, DMSO, 메탄올에 용해됩니다.
안정성: 흡습성
InChI: InChI=1S/C3H7NO.ClH/c5-3-1-4-2-3;/h3-5H,1-2H2;1H
InChIKey: UQUPQEUNHVVNKW-UHFFFAOYSA-N
SMILES: C1(O)CNC1.Cl

화학적 성질

white crystal

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.

Danger

H302 (84.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 52 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (84.6%)

안전 데이터

wgk: 3
ridadr: UN1759
HS 번호: 29339900
risk_code: 36/37/38-41-37/38-22
hazard_code: C,Xi,Xn
safety_code: 26-36/37/39
위험 등급: IRRITANT
위험 참고 사항: Harmful/Corrosive
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

개요3-hydroxyazaecyclobutane hydrochloride is an azaecyclobutane compound that is an important intermediate in the synthesis of Brectinib, which is obtained through a multi-step reaction. Brectinib was approved by the European Union. The monotherapy or in combination with methotrexate for the treatment of adult patients with moderate to severe active rheumatoid arthritis with inadequate or intolerant relief from one or more antirheumatic drugs. It is also the first JAK inhibitor approved in the European Union for the treatment of rheumatoid arthritis.

공급사50 곳

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

上海恩氟佳科技有限公司15800445152 · [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]

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