4,4,5,5-Tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane

HCID 2773555

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 171364-83-3
표준 SMILES: CC1(C)OB(c2ccc([N+](=O)[O-])cc2)OC1(C)C
InChIKey: LUWACRUAJXZANC-UHFFFAOYSA-N
분자식: C12H16BNO4
평균 분자량: 249.07 g/mol
단동위원소 질량: 249.11723839

이름 및 식별자

우선 이름: 4,4,5,5-Tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane
IUPAC: 4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane
영어명: 4-Nitrophenylboronic acid pinacol ester
분자식: C12H16BNO4
분자량: 249.07

이름 및 동의어

171364-83-34,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolaneDTXSID60378550RefChem:284831DTXCID10329577664-253-44-Nitrophenylboronic acid pinacol ester4-Nitrophenylboronic acid, pinacol esterMFCD021794371,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(4-nitrophenyl)-4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene(4-NITROPHENYL)BORONIC ACID, PINACOL ESTER

이름 더 보기

4-Nitrophenylboronic acid picol ester-Nitrophenylboronic acid pinacol ester4-Nitrobenzeneboronic acid, pinacol ester4-Nitrophenylboronic acid, pinacol ester - [N4802]4-Nitrophenylboronic acid pinacol ester ISO 9001：2015 REACH1-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene

LUWACRUAJXZANC-UHFFFAOYSA-NSCHEMBL56104CHEMBL20244544,4,5,5-tetramethyl-2-(4-nitro-phenyl)-[1,3,2]dioxaborolaneCS-M0976RB3074AKOS015920324GS-6751

데이터베이스 식별자

CAS: 171364-83-3
PubChem CID: 2773555
DTXSID: DTXSID60378550
ChEMBL: CHEMBL2024454
EC Number: 664-253-4
Nikkaji: J845.350K

물성

구조 계산 물성

극성 표면적: 64.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 315

물리화학적 성질

녹는점: 112 · 112-116 °C (lit.)
끓는 점: 357.5 · 357.5±25.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 분말 또는 결정
색상: White to Orange to Green
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-5-7-10(8-6-9)14(15)16/h5-8H,1-4H3
InChIKey: LUWACRUAJXZANC-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1C1=CC=C([N+]([O-])=O)C=C1

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 2
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
위험 참고 사항: Harmful/Store Cold
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Reactant involved in: • ;Synthesis of aryl azides 1• ;Arylation of allylic chlorides2• ;Syntehsis of RNA conjugates3• ;Alkoxycarbonylation4• ;Synthesis of mTOR and PI3K inhibitors as antitumor agents5• ;Electrooxidative synthesis of biaryls6

상·하류 제품 정보

상류 원료

Diazene, 1-(methylsulfonyl)-2-(4-nitrophenyl)-4-Nitrophenylboronic acid 1-Iodo-4-nitrobenzene Phenyl trifluoromethanesulfonate boranylbis(propan-2-yl)amine 4-Nitrophenyl trifluoromethanesulfonate 4-Nitrobenzenediazonium tetrafluoroborate 4-나이트로벤젠설포닐 염화물 Pinacol P-클로로니트로벤젠 Pinacolborane Bis(pinacolato)diboron

하류 제품

4,4'-Dinitrobiphenyl 나이트로벤젠

공급사100 곳

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海弘顺生物科技有限公司15901914505 · [email protected]

화합물 노트

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