2-(Hydroxymethyl)phenylboronic Acid

HCID 4374262CAS 87199-14-2

기본 정보

표준 SMILES: OCc1ccccc1B(O)O
InChIKey: AFHOBSCDNXGFMO-UHFFFAOYSA-N
분자식: C7H9BO3
평균 분자량: 151.96 g/mol
단동위원소 질량: 152.06447455

이름 및 식별자

우선 이름: 2-(Hydroxymethyl)phenylboronic Acid
IUPAC: [2-(hydroxymethyl)phenyl]boronic acid
영어명: 2-Hydroxymethylphenylboronic acid
분자식: C7H9BO3
분자량: 151.96

이름 및 동의어

2-(Hydroxymethyl)phenylboronic acidRefChem:461092674-848-087199-14-22-hydroxymethylphenylboronic acid(2-(Hydroxymethyl)phenyl)boronic acid[2-(hydroxymethyl)phenyl]boronic Acid2-(hydroxymethyl)benzeneboronic acidMFCD02258966o-(hydroxymethyl)phenylboronic acidSCHEMBL8530DTXSID20402562

이름 더 보기

2-Hydroxymethylpheny2-HydroMethylphenylboronicacid2-Hydroxymethylphenylboronic acid，98%2-(Hydroxymethyl)phenylboronic acid ,97%Boronic acid, B-[2-(hydroxymethyl)phenyl]-2-(Hydroxymethyl)benzeneboronicacidmonocyclicester2-HydroxyMethylphenylboronic acid 1-Hydroxy-2,1-benzoxaborolane

2-(hydroxymethyl)-phenylboronic acidAKOS000285067GS-6630H1345EN300-6769108Boronic acid, [2-(hydroxymethyl)phenyl]-2-hydroxymSCHEMBL29377890

데이터베이스 식별자

CAS: 87199-14-2
PubChem CID: 4374262
DTXSID: DTXSID20402562
EC Number: 674-848-0
Nikkaji: J1.309.262A

물성

구조 계산 물성

극성 표면적: 60.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 118

물리화학적 성질

녹는점: 98 · 98-100°
끓는 점: 379.8 · 379.8±44.0 °C(Predicted)
밀도: 1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 8.48 · 8.48±0.58(Predicted)
색상: 흰색에서 거의 흰색
수용성: 물에 약간 용해됩니다.

화학적 성질

Off-white Cryst

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+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.