4-(Hydroxymethyl)benzeneboronic acid

HCID 2734706

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59016-93-2
표준 SMILES: OCc1ccc(B(O)O)cc1
InChIKey: PZRPBPMLSSNFOM-UHFFFAOYSA-N
분자식: C7H9BO3
평균 분자량: 151.96 g/mol
단동위원소 질량: 152.06447455

이름 및 식별자

우선 이름: 4-(Hydroxymethyl)benzeneboronic acid
IUPAC: [4-(hydroxymethyl)phenyl]boronic acid
영어명: 4-(Hydroxymethyl)phenylboronic acid
분자식: C7H9BO3
분자량: 151.96

이름 및 동의어

4-(Hydroxymethyl)benzeneboronic AcidRefChem:516188672-927-459016-93-24-(Hydroxymethyl)phenylboronic acid[4-(hydroxymethyl)phenyl]boronic Acid4-hydroxymethylphenylboronic acid(4-(hydroxymethyl)phenyl)boronic acidMFCD007926724-hydroxymethyl phenylboronic acid(4-BORONOPHENYL)METHANOL4(hydroxymethyl)phenylboronic acid

이름 더 보기

AKOS BRN-0115RARECHEM AH PB 01904-(Hydroxymethyl)Phenylboronic(4-methylolphenyl)boronic acid4-HydroMethylphenylboronicacidα-Hydroxy-p-tolueneboronic acid4-(Hydroxymethyl)phenylboronicaci(p-HydroxyMethyl)phenylboronic acid

4-(hydroxymethyl)-phenylboronic acid4-(hydroxymethyl)phenyl-boronic acid4-(hydroxymethyl)benzene boronic acidEN300-1759934-Boronobenzyl alcoholBORONIC ACID, [4-(HYDROXYMETHYL)PHENYL]-[4-(hydroxSCHEMBL112402

데이터베이스 식별자

CAS: 59016-93-2
PubChem CID: 2734706
DTXSID: DTXSID20370454
EC Number: 672-927-4
Nikkaji: J1.526.601E

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: 110

물리화학적 성질

녹는점: 251 · 251-256 °C (lit.)
끓는 점: 362 · 362.0±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
물리적 상태: 결정성 분말
산도 계수 (pKa): 8.53 · 8.53±0.10(Predicted)
색상: 흰색에서 약간 노란색
수소이온지수(pH): 4.5 · 4.5 (10g/l, H2O)
수용성: 25 g/L · 25g/L
BRN: 2831413 · 2831413
InChI: InChI=1S/C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2
InChIKey: PZRPBPMLSSNFOM-UHFFFAOYSA-N
SMILES: B(C1=CC=C(CO)C=C1)(O)O

화학적 성질

Off-white Cryst

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

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

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

화학 및 산업

응용 분야

용도suzuki reaction

공급사100 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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

화합물 노트

불러오는 중…