[3-(Hydroxymethyl)phenyl]boronic acid

HCID 2734662CAS 87199-15-3

기본 정보

표준 SMILES: OCc1cccc(B(O)O)c1
InChIKey: HGTDLKXUWVKLQX-UHFFFAOYSA-N
분자식: C7H9BO3
평균 분자량: 151.96 g/mol
단동위원소 질량: 152.06447455

이름 및 식별자

우선 이름: [3-(Hydroxymethyl)phenyl]boronic acid
IUPAC: [3-(hydroxymethyl)phenyl]boronic acid
영어명: 3-(Hydroxymethyl)phenylboronic acid
분자식: C7H9BO3
분자량: 151.96

이름 및 동의어

[3-(hydroxymethyl)phenyl]boronic Acid(3-(Hydroxymethyl)phenyl)boronic acid(3-Hydroxymethyl)phenylboronic acidRefChem:399681672-931-63-(Hydroxymethyl)phenylboronic acid87199-15-33-hydroxymethylphenylboronic acid3-(Hydroxymethyl)benzeneboronic AcidMFCD01317846(3-hydroxymethylphenyl)boronic acid3-(hydroxymethyl)phenyl boronic acid

이름 더 보기

PACR-012RARECHEM AH PB 01893-Boronobenzyl alcohol(3-Boronophenyl)methanol3-hydroxymethylboronic acid3-(hydroxyMethyl)phenylboronic3-HydroMethylphenylboronicacidm-(Hydroxymethyl)phenylboronic Acid

SCHEMBL8832CHEMBL3495163-(hydroxymethyl)-phenylboronic acid3-(hydroxymethyl)phenyl-boronic acid3-(hydroxymethyl)benzene boronic acidAKOS0052581443-(Hydroxymethyl)phenylboronicacid(3-(hydroxymethyl)phenyl)-boronic acid

데이터베이스 식별자

CAS: 87199-15-3
PubChem CID: 2734662
DTXSID: DTXSID00370432
ChEMBL: CHEMBL349516
EC Number: 672-931-6
Nikkaji: J2.225.064G

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: 95 · 95-99 °C (lit.)
끓는 점: 380.5 · 380.5±44.0 °C(Predicted)
밀도: 1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 8.31 · 8.31±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 물에 용해됩니다.
BRN: 8832019 · 8832019
InChI: InChI=1S/C7H9BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9-11H,5H2
InChIKey: HGTDLKXUWVKLQX-UHFFFAOYSA-N
SMILES: B(C1=CC=CC(CO)=C1)(O)O

화학적 성질

Off-white Cryst

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 25% (3 of 12) of reports.

Warning

H315 (75%): 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 12 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 27-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33076

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-36-24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도suzuki reaction

상·하류 제품 정보

상류 원료

하류 제품

3-Aminobenzylalcohol (3-(4,4,5,5-테트라메틸-1,3,2-디옥사보롤란-2-일)페닐)메탄올 3-CYANOBENZYL ALCOHOL 6-(3-(HYDROXYMETHYL)PHENYL)NAPHTHALEN-2-OL 3-(4-클로로페닐)벤질알코올 (4'-METHYLBIPHENYL-3-YL)-메탄올

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

安徽建竹生物科技有限公司15855184105 · [email protected]

연결된 노트

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