(4-Isobutylphenyl)boronic acid

HCID 2773472

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 153624-38-5
표준 SMILES: CC(C)Cc1ccc(B(O)O)cc1
InChIKey: YZSPHVWALUJQNK-UHFFFAOYSA-N
분자식: C10H15BO2
평균 분자량: 178.04 g/mol
단동위원소 질량: 178.11651012

이름 및 식별자

우선 이름: (4-Isobutylphenyl)boronic acid
IUPAC: [4-(2-methylpropyl)phenyl]boronic acid
영어명: 4-Isobutylphenylboronic acid
분자식: C10H15BO2
분자량: 178.04

이름 및 동의어

(4-Isobutylphenyl)boronic acidRefChem:402902689-855-44-Isobutylphenylboronic acid153624-38-54-Isobutylbenzeneboronic acid[4-(2-methylpropyl)phenyl]boronic AcidMFCD01632198Boronic acid,B-[4-(2-methylpropyl)phenyl]-4-(2-methylpropyl)phenylboronic acidAKOS009157645PS-9522

이름 더 보기

RARECHEM AH PB 01114-Isobutylphenylboronic4-Isobutylphenylboronicaci4-Isobutylphenylboronc Acidp-Isobutylphenylboronic AcidB-[4-(2-Methylpropyl)phenyl]boronic acid4-(2-Methylprop-1-yl)benzeneboronic acid

NCGC00249511-01EN300-7046145Boronic acid, [4-(2-methylpropyl)phenyl]-4-isobuty4-isobutylbenzenboronic acid4-isobutyl-phenylboronic acid4-iso-Butylphenylboronic acidSCHEMBL257753

데이터베이스 식별자

CAS: 153624-38-5
PubChem CID: 2773472
DTXSID: DTXSID30378481
EC Number: 689-855-4
Nikkaji: J3.646.877G

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 117 · 117-120°C
끓는 점: 306.5 · 306.5±35.0 °C(Predicted)
밀도: 1.02 · 1.02±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.62 · 8.62±0.10(Predicted)
물리적 상태: 고체
색상: 하얀색

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 2 reports by companies from 2 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

ridadr: UN2811
HS 번호: 29319090
risk_code: 36/37/38-40
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36-22-60-37
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도4-Isobutylphenylboronic Acid is an intermediate used to prepare thiophenesulfonamides as endothelin receptor antagonists. it is also used to synthesize thalidomide analogs with the proinflammatory cytokine Tumor Necrosis Factor (TNF) expression inhibition activities.