3-Pyridinylboronic acid

HCID 2734378
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기본 정보

CAS
1692-25-7
표준 SMILES
OB(O)c1cccnc1
InChIKey
ABMYEXAYWZJVOV-UHFFFAOYSA-N
분자식
C5H6BNO2
평균 분자량
122.92 g/mol
단동위원소 질량
123.0491586

이름 및 식별자

우선 이름
3-Pyridinylboronic acid
IUPAC
pyridin-3-ylboronic acid
영어명
3-Pyridylboronic acid
분자식
C5H6BNO2
분자량
122.92

이름 및 동의어

3-pyridinylboronic acidRefChem:406909Pyridine-3-boronic acid1692-25-7pyridin-3-ylboronic acid3-Pyridylboronic Acid3-Pyridineboronic acid(pyridin-3-yl)boronic acidBoronic acid, B-3-pyridinyl-MFCD00674177(3-pyridinyl)boronic acidpyridine-3-boronicacid
이름 더 보기
3-PyridyLDFD3AKOS BRN-0272Pyridine-3-acid3-Boronopyridine
B-3-Pyridinylboronic acidpyridin-3-yl-boronic acid3-Pyridineboronic acid (contains varying amounts of Anhydride)3-pyridineboronicBoronic acid, 3-pyridinyl-pyridin-3-yl-3-boronic acidpyridine 3-boronic acid(3-pyridyl)boronic acid

데이터베이스 식별자

CAS
1692-25-7
PubChem CID
2734378
DTXSID
DTXSID30370268
ChEMBL
CHEMBL3236605
UNII
BV5Q59CY4T
EC Number
605-544-8
Nikkaji
J806.559D

물성

구조 계산 물성

극성 표면적
53.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
9

물리화학적 성질

녹는점
300 °C · >300 °C (lit.)
끓는 점
308.8 · 308.8±34.0 °C(Predicted)
밀도
1.22 · 1.22±0.1 g/cm3(Predicted)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
메탄올에 약간 용해됩니다.
물리적 상태
분말, 결정 및/또는 덩어리

화학적 성질

Light Yellow Powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): 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 12 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. 4 (25%)；Skin Irrit. 2 (91.7%)；Eye Irrit. 2A (91.7%)；STOT SE 3 (83.3%)

안전 데이터

wgk
3
HS 번호
29349990
risk_code
36/37/38-22-34-11
hazard_code
Xn,Xi,C,F
safety_code
36/37/39-3-26-45-16
위험 등급
IRRITANT, KEEP COLD

화학 및 산업

응용 분야 · 1건

용도3-Pyridylboronic acid is a reagent used for• ;Phosphine-free Suzuki-Miyaura cross-coupling reactions 1 ;Regioselective Suzuki-Miyaura coupling and tandem palladium-catalyzed intramolecular aminocarbonylation and annulation 2 ;N-arylation using copper acetylacetonate catalyst 3 ;Copper-mediated cyanation and regioselective cyanation of electron-rich benzenes 4 Reagent use in Preparation of • ;New linear poly(phenylpyridyl) chains by Suzuki coupling 5 ;Oligopyridyl foldamers as mimics of a-helix twist 6 ;Many highly significant therapeutic enzymatic and kinase inhibitors and r

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
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]
INTATRADE GmbH+49 3493/605464 · [email protected]

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