2-에틸히드로붕산

2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)

HCID 4100862CAS 90002-36-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCc1ccccc1B(O)O
InChIKey: QSSPYZOSTJDTTL-UHFFFAOYSA-N
분자식: C8H11BO2
평균 분자량: 149.98 g/mol
단동위원소 질량: 150.08520999

이름 및 식별자

우선 이름: 2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)
IUPAC: (2-ethylphenyl)boronic acid
현지명: 2-에틸히드로붕산
영어명: 2-Ethylphenylboronic acid
분자식: C8H11BO2
분자량: 149.98

이름 및 동의어

2-Ethylphenylboronic acid (contains varying amounts of Anhydride)RefChem:472029677-274-92-Ethylphenylboronic acid90002-36-1(2-ethylphenyl)boronic acid2-Ethylbenzeneboronic AcidBORONIC ACID, (2-ETHYLPHENYL)-MFCD02093075O-ETHYLPHENYLBORONIC ACID2-Ethylphenyl boronic acid2-ethylbenzene boronic acid

이름 더 보기

2-에틸히드로붕산AKOS BRN-02412-ETHYLPHENYLBORONIC2-EthylphenylboronicAci2-Ethylbenzeneboronic acid, 98+%Boronic acid, B-(2-ethylphenyl)-2-Ethylphenylboronic acid - [E3120]

AKOS003237622SY018048E08182-Ethylphenylboronicacid2-ethylphenylboronic?acid2-ethyl benzene boronic acidSCHEMBL410387SCHEMBL4957021

데이터베이스 식별자

CAS: 90002-36-1
PubChem CID: 4100862
DTXSID: DTXSID60399321
EC Number: 677-274-9
Nikkaji: J1.474.153D

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: 11
형식 전하: 0
복잡도: 117

물리화학적 성질

녹는점: 102.5 · 102.5-107.5 °C(lit.)
끓는 점: 299.1 · 299.1±33.0 °C(Predicted)
밀도: 1.07 · 1.07±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 8.61 · 8.61±0.58(Predicted)
색상: 흰색에서 거의 흰색
BRN: 2963801 · 2963801
InChI: 1S/C8H11BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6,10-11H,2H2,1H3
InChIKey: QSSPYZOSTJDTTL-UHFFFAOYSA-N
SMILES: CCc1ccccc1B(O)O

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.