1-(3-메틸부틸)-1H-피라졸-4-보론산,피나콜에스테르

1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester

HCID 2759831
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기본 정보

CAS
777063-41-9
표준 SMILES
CC(C)CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey
YFNOUGJZNHTYAD-UHFFFAOYSA-N
분자식
C14H25BN2O2
평균 분자량
264.17 g/mol
단동위원소 질량
264.20090844

이름 및 식별자

우선 이름
1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester
IUPAC
1-(3-methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
현지명
1-(3-메틸부틸)-1H-피라졸-4-보론산,피나콜에스테르
영어명
1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER
분자식
C14H25BN2O2
분자량
264.17

이름 및 동의어

1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol esterRefChem:424032675-019-6777063-41-91-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-(3-methylbutyl)-1h-pyrazole-4-boronic acid, pinacol ester1-(3-methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1-(3-METHYLBUTYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLEMFCD056638671H-Pyrazole, 1-(3-methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-ISOPENTYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER1-(3-methylbutyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
이름 더 보기
1-(3-메틸부틸)-1H-피라졸-4-보론산,피나콜에스테르1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid, pinacol ester 97%
1-(3-Methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1H-pyrazoleSCHEMBL520617DTXSID90374929(1-ISOPENTYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTERSBB102768AKOS004910746AB21982AS-72806

데이터베이스 식별자

CAS
777063-41-9
PubChem CID
2759831
DTXSID
DTXSID90374929
EC Number
675-019-6
Nikkaji
J2.138.998F

물성

구조 계산 물성

극성 표면적
36.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
19

물리화학적 성질

끓는 점
362.8 · 362.8±15.0 °C(Predicted)
밀도
1.01 · 1.01±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C
물리적 상태
solid
산도 계수 (pKa)
2.11 · 2.11±0.10(Predicted)
InChI
1S/C14H25BN2O2/c1-11(2)7-8-17-10-12(9-16-17)15-18-13(3,4)14(5,6)19-15/h9-11H,7-8H2,1-6H3

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
HS 번호
2933199090
risk_code
22
hazard_code
Xn
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

화학 및 산업

공급사40 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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