2-모르폴리노피리미딘-5-일보론산

2-Morpholinopyrimidine-5-boronic acid

HCID 46864007

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 870521-33-8
표준 SMILES: OB(O)c1cnc(N2CCOCC2)nc1
InChIKey: KFYQOIHLZBDFBU-UHFFFAOYSA-N
분자식: C8H12BN3O3
평균 분자량: 209.01 g/mol
단동위원소 질량: 209.0971714

이름 및 식별자

우선 이름: 2-Morpholinopyrimidine-5-boronic acid
IUPAC: (2-morpholin-4-ylpyrimidin-5-yl)boronic acid
현지명: 2-모르폴리노피리미딘-5-일보론산
영어명: 2-Morpholinopyrimidin-5-ylboronic acid
분자식: C8H12BN3O3
분자량: 209.01

이름 및 동의어

2-Morpholinopyrimidine-5-boronic acidRefChem:476313802-136-3870521-33-82-MORPHOLINOPYRIMIDIN-5-YLBORONIC ACID2-(Morpholine-4-yl)pyrimidine-5-boronic acidMFCD07375148(2-morpholinopyrimidin-5-yl)boronic acid(2-MORPHOLIN-4-YLPYRIMIDIN-5-YL)BORONIC ACID[2-(morpholin-4-yl)pyrimidin-5-yl]boronic acid(2-(Morpholin-4-yl)pyrimidin-5-yl)boronic acid2-morpholinopyrimidin-5-ylboronicacid

이름 더 보기

2-모르폴리노피리미딘-5-일보론산2-morpholino-5-pyrimidineboronic acid(2-(Morpholin-4-yl)pyrimidin-5-yl)boronic2-Morpholinopyrimidin-5-ylboronic acid 95%[2-(4-Morpholinyl)-5-pyrimidinyl]boronic acidBoronic acid,B-[2-(4-morpholinyl)-5-pyrimidinyl]-2-Morpholinopyrimidine-5-boronic acid(contains varying amounts of Anhydride)

C8H12BN3O3[2-(morpholin-4-yl)pyrBoronic acid, [2-(4-morpholinyl)-5-pyrimidinyl]-SCHEMBL5525017DTXSID30676914KFYQOIHLZBDFBU-UHFFFAOYSA-NAKOS015855906AB41290

데이터베이스 식별자

CAS: 870521-33-8
PubChem CID: 46864007
DTXSID: DTXSID30676914
EC Number: 802-136-3

물성

구조 계산 물성

극성 표면적: 78.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 194

물리화학적 성질

끓는 점: 484 · 484.0±55.0 °C(Predicted)
밀도: 1.37 · 1.37
저장 조건: 2 · Inert atmosphere,2-8°C
산도 계수 (pKa): 3.02 · 3.02±0.19(Predicted)
물리적 상태: solid
InChI: 1S/C8H12BN3O3/c13-9(14)7-5-10-8(11-6-7)12-1-3-15-4-2-12/h5-6,13-14H,1-4H2
InChIKey: KFYQOIHLZBDFBU-UHFFFAOYSA-N
SMILES: OB(O)c1cnc(nc1)N2CCOCC2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 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 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2934999090
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사54 곳

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

화합물 노트

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