2-Methylpyrimidine-5-boronic acid

HCID 45787274CAS 1034924-06-5

기본 정보

표준 SMILES: Cc1ncc(B(O)O)cn1
InChIKey: BTJLWJOEZRVRNL-UHFFFAOYSA-N
분자식: C5H7BN2O2
평균 분자량: 137.93 g/mol
단동위원소 질량: 138.0600576

이름 및 식별자

우선 이름: 2-Methylpyrimidine-5-boronic acid
IUPAC: (2-methylpyrimidin-5-yl)boronic acid
영어명: (2-METHYLPYRIMIDIN-5-YL)BORONIC ACID
분자식: C5H7BN2O2
분자량: 137.93

이름 및 동의어

2-METHYLPYRIMIDINE-5-BORONIC ACIDRefChem:476248802-156-2(2-Methylpyrimidin-5-yl)boronic acid1034924-06-52-methylpyrimidin-5-ylboronic acidMFCD07375144SCHEMBL154802(2-METHYL-5-PYRIMIDINYL)-BORONIC ACID2-Methylpyrimidin-5-boronic acidDTXSID00671658(2-methyl-5-pyrimidinyl)boronic acid

이름 더 보기

JACS-1034924-06-5Methylpyrimidine-5-boronic acid(2-Methylpyrimidin-5-yl)boronicaci2-Methylpyrimidine-5-boronic acid 96%2-methylpyrimidin-5-yl-5-boronic acidB-(2-Methyl-5-pyrimidinyl)boronic acidB-(2-Methylpyrimidin-5-yl)boronic acid

BTJLWJOEZRVRNL-UHFFFAOYBTJLWJOEZRVRNL-UHFFFAOYSA-N(2-Methylpyrimidin-5-yl)boronicacidAKOS006287051PB29430DA-16087DS-13107SY025035

데이터베이스 식별자

CAS: 1034924-06-5
PubChem CID: 45787274
DTXSID: DTXSID00671658
EC Number: 802-156-2
Nikkaji: J3.798.828F

물성

구조 계산 물성

극성 표면적: 66.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 104

물리화학적 성질

끓는 점: 308.3 · 308.3±34.0 °C(Predicted)
밀도: 1.26 · 1.26
저장 조건: 2 · Inert atmosphere,2-8°C
산도 계수 (pKa): 5.48 · 5.48±0.11(Predicted)
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1S/C5H7BN2O2/c1-4-7-2-5(3-8-4)6(9)10/h2-3,9-10H,1H3
InChIKey: BTJLWJOEZRVRNL-UHFFFAOYSA-N
SMILES: B(C1=CN=C(C)N=C1)(O)O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2933599590

화학 및 산업

공급사50 곳

杭州达康新材料有限公司18753078059 · [email protected]

Changzhou Carman Chemical Co., Ltd.15061933924

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

天津羲泽润科技有限公司18622687818 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

연결된 노트

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