2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 3864964CAS 87100-28-5

기본 정보

표준 SMILES
CC1(C)OB(Cc2ccccc2)OC1(C)C
InChIKey
YCNQPAVKQPLZRS-UHFFFAOYSA-N
분자식
C13H19BO2
평균 분자량
218.1 g/mol
단동위원소 질량
218.14781

이름 및 식별자

우선 이름
2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC
2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
영어명
Benzylboronic acid pinacol ester
분자식
C13H19BO2
분자량
218.1

이름 및 동의어

87100-28-52-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID801007338RefChem:465651DTXCID101434194679-569-8Benzylboronic acid pinacol esterMFCD05663841121074-61-14,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(phenylmethyl)-benzylboronic pinacol ester
이름 더 보기
pinacol benzylboronatebenzylboronic acidolesterBenzylboronic acid pinacol estPinarylbenzylboronic acid esterBenzylboronic acid pinacol ester 96%2-BENZYL-4,4,5,5-TETRAMETHYL-(1,3,2)DIOXABOROLANE2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane >4,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane3-hydroxy-2,3-dimethylbutan-2-yl hydrogen benzylboronate
SCHEMBL142096orb2940486benzyl boronic acid pinacol esterYCNQPAVKQPLZRS-UHFFFAOYSA-NTYD-00092AKOS005259533AB21925Benzylboronic acid pinacol ester, 96%

데이터베이스 식별자

CAS
87100-28-5
PubChem CID
3864964
DTXSID
DTXSID801007338
EC Number
679-569-8
Nikkaji
J1.147.021A

물성

구조 계산 물성

극성 표면적
18.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
16

물리화학적 성질

끓는 점
65 °C0.15 · 65 °C0.15 mm Hg
밀도
0.98 g/mL · 0.980 g/mL at 25 °C
굴절률
20 · n20/D 1.490
인화점
230 °F · >230 °F
저장 조건
-20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태
투명한 액체

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.;There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).;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 (66.7%);Eye Irrit. 2A (66.7%);STOT SE 3 (33.3%)

안전 데이터

wgk
3
HS 번호
2931900090
hazard_code
Xi
safety_code
23-24/25
위험 참고 사항
Irritant
스토리지 클래스
10 - Combustible liquids

화학 및 산업

응용 분야

용도Benzylboronic acid pinacol ester finds application in Pd (0)-mediated [11 C] carbonylation reaction.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

관련 반응

12건

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