CAS 22237-13-4 4-Ethoxyphenylboronic acid (HCID 2734351)

기본 정보

CAS: 22237-13-4
표준 SMILES: CCOc1ccc(B(O)O)cc1
InChIKey: WRQNDLDUNQMTCL-UHFFFAOYSA-N
분자식: C8H11BO3
평균 분자량: 165.98 g/mol
단동위원소 질량: 166.08012461

이름 및 식별자

우선 이름: 4-Ethoxyphenylboronic acid
IUPAC: (4-ethoxyphenyl)boronic acid
영어명: 4-Ethoxyphenylboronic acid
분자식: C8H11BO3
분자량: 165.98

이름 및 동의어

4-Ethoxyphenylboronic acidDTXSID70370242RefChem:1070597DTXCID1032127822237-13-4(4-ethoxyphenyl)boronic acid4-Ethoxybenzeneboronic AcidMFCD006740284-ethoxyphenyl boronic acid(4-ethoxyphenyl)-oxidanyl-oxidanylidene-boronp-ethoxyphenylboronic acid4-ETHOXYPHENYLBORONICACID

이름 더 보기

AKOS BRN-00704-BoronophenetoleRARECHEM AH PB 01384-Ethoxyphenylboroni4-Etoxyphenylboronic acid(4-ethoxyphenyl)boronicaci4-Ethoxybenzeneboronicacid,96%

Boronic acid, (4-ethoxyphenyl)-4-Ethoxybenzeneboronic Acid (contains varying amounts of Anhydride)4-Ethoxyphenylboronic Acid (contains varying amounts of Anhydride)p-ethoxybenzeneboronic acid4-ethoxy-phenylboronic acidSCHEMBL90724-ethoxybenzene boronic acid4-(ethoxy)phenylboronic acid

데이터베이스 식별자

CAS: 22237-13-4
PubChem CID: 2734351
DTXSID: DTXSID70370242
EC Number: 680-124-5
Nikkaji: J1.191.284B

물성

구조 계산 물성

극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 121

물리화학적 성질

녹는점: 121 · 121-128 °C(lit.)
끓는 점: 317.6 · 317.6±44.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 8.98 · 8.98±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 밝은 노란색
BRN: 3530408 · 3530408
InChI: InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3
InChIKey: WRQNDLDUNQMTCL-UHFFFAOYSA-N
SMILES: B(C1=CC=C(OCC)C=C1)(O)O

화학적 성질

White crystalline powder

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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.