4-Fluoro-3-(hydroxymethyl)benzeneboronic acid

HCID 21865588

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 481681-02-1
표준 SMILES: OCc1cc(B(O)O)ccc1F
InChIKey: PWMOQHMTXJYUGE-UHFFFAOYSA-N
분자식: C7H8BFO3
평균 분자량: 169.95 g/mol
단동위원소 질량: 170.0550524

이름 및 식별자

우선 이름: 4-Fluoro-3-(hydroxymethyl)benzeneboronic acid
IUPAC: [4-fluoro-3-(hydroxymethyl)phenyl]boronic acid
영어명: 4-Fluoro-3-(hydroxymethyl)benzeneboronic acid
분자식: C7H8BFO3
분자량: 169.95

이름 및 동의어

4-FLUORO-3-(HYDROXYMETHYL)BENZENEBORONIC ACIDRefChem:523161692-485-6481681-02-1[4-Fluoro-3-(Hydroxymethyl)Phenyl]Boronic Acid4-FLUORO-3-(HYDROXYMETHYL)PHENYLBORONIC ACID4-fluoro-3-hydroxymethylphenylboronic acidMFCD08235075(4-fluoro-3-(hydroxymethyl)phenyl)boronic acidSCHEMBL10192784-Fluoro-3-hydroxymethyl benzene boronic acid4-fluoro-3-hydroxymethyl-benzene-boronic acid

이름 더 보기

uoro-3-(hydroxymethyL4-Fluoro-3-(hydroxymethyl)phenyl4-Fluoro-3-(hydroxymethyl)phenylboronic4-Fluoro-3-(hydroxymethyl)phenyl]boronicaci4-Fluoro-3-(hydroxymethyl)benzeneboronicacid98%4-Fluoro-3-(hydroxymethyl)benzeneboronic acid 98%[4-Fluoro-3-(hydroxymethyl)phenyl]boronic acid ,98%Boronic acid, B-[4-fluoro-3-(hydroxymethyl)phenyl]-

N123044-Fluoro-3-(hydroxymethyl)phenylboronic Acid (contains varying amounts of Anhydride)AMY29940Boronic acid, [4-fluoro-3-(hydroxymethyl)phenyl]-SCHEMBL29951218DTXSID60619071SBB088349AKOS006222936

데이터베이스 식별자

CAS: 481681-02-1
PubChem CID: 21865588
DTXSID: DTXSID60619071
EC Number: 692-485-6

물성

구조 계산 물성

극성 표면적: 60.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 145

물리화학적 성질

녹는점: 124 · 124-126
끓는 점: 365.8 · 365.8±52.0 °C(Predicted)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
저장 조건: Keep Cold
산도 계수 (pKa): 8.39 · 8.39±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

안전 데이터

HS 번호: 2931900090
hazard_code: Xi
위험 참고 사항: Irritant/Keep Cold

화학 및 산업

응용 분야

용도suzuki reaction

상·하류 제품 정보

상류 원료

공급사86 곳

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

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

화합물 노트

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