3-Isopropylbenzeneboronic acid

HCID 2773478

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 216019-28-2
표준 SMILES: CC(C)c1cccc(B(O)O)c1
InChIKey: QSWLFBMVIGQONC-UHFFFAOYSA-N
분자식: C9H13BO2
평균 분자량: 164.01 g/mol
단동위원소 질량: 164.1008598

이름 및 식별자

우선 이름: 3-Isopropylbenzeneboronic acid
IUPAC: (3-propan-2-ylphenyl)boronic acid
영어명: 3-ISOPROPYLPHENYLBORONIC ACID
분자식: C9H13BO2
분자량: 164.01

이름 및 동의어

3-Isopropylbenzeneboronic acidRefChem:502868681-889-83-Isopropylphenylboronic acid216019-28-2(3-propan-2-ylphenyl)boronic Acid(3-isopropylphenyl)boronic acidMFCD010746343-Isoprophenylboronic acid[3-(PROPAN-2-YL)PHENYL]BORONIC ACID3-Isopropylphenylboronic Acid (contains varying amounts of Anhydride)3-ISOPROPYLPHENYLBORONICACID

이름 더 보기

3-CUMYLBORONIC ACIDRARECHEM AH PB 01513-ISOPROPYLBORONIC ACID3-Isopropylphenylboronic3-Isopropylphebylboronic acidM-ISOPROPYLPHENYLBORONIC ACID3-Isopropylbenzeneboronicacid,99%

BORONIC ACID, [3-(1-METHYLETHYL)PHENYL]-3isopropylphenylboronic acid3-Isopropylphenbylboronic acidSCHEMBL1293433-isopropyl-phenylboronic acid3-isopropylphenyl boronic acid3-isopropylbenzene boronic acid3-isopropyl phenyl boronic acid

데이터베이스 식별자

CAS: 216019-28-2
PubChem CID: 2773478
DTXSID: DTXSID30944201
EC Number: 681-889-8
Nikkaji: J1.592.135H

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 70 · 70-72°C
끓는 점: 294.2 · 294.2±33.0 °C(Predicted)
밀도: 1.04 · 1.04±0.1 g/cm3(Predicted)
인화점: 110 ° · >110°(230°F)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 8.58 · 8.58±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 3090001 · 3090001

화학적 성질

Off-white Cryst

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (11.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 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.