(2-Fluoro-4-methylphenyl)boronic acid

HCID 2783132

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 170981-26-7
표준 SMILES: Cc1ccc(B(O)O)c(F)c1
InChIKey: LIXXGOMAGHXIMP-UHFFFAOYSA-N
분자식: C7H8BFO2
평균 분자량: 153.95 g/mol
단동위원소 질량: 154.06013812

이름 및 식별자

우선 이름: (2-Fluoro-4-methylphenyl)boronic acid
IUPAC: (2-fluoro-4-methylphenyl)boronic acid
영어명: 2-Fluoro-4-methylphenylboronic acid
분자식: C7H8BFO2
분자량: 153.95

이름 및 동의어

(2-Fluoro-4-methylphenyl)boronic acidRefChem:395832675-651-22-Fluoro-4-methylphenylboronic acid170981-26-72-Fluoro-4-methylbenzeneboronic Acid(2-fluoro-4-methyl-phenyl)boronic AcidMFCD05664239SCHEMBL140793CHEMBL1824171DTXSID60382450(2-Fluoro-4-methylphenyl)boronicacid

이름 더 보기

2-Fluoro-p-tolylboronic acid2-Fluoro-4-methylphenylbo...Fluoro-4-Methylphenylboronic2-Fluoro-4-Methylphenylboronic2-Fluoro-4-methylphenylboronicaci4-Methyl-2-fluorophenylboronic acidB-(2-Fluoro-4-methylphenyl)boronic acid2-Fluoro-4-methylphenylboronic acid ,97%

AKOS009157771CS-W003242PB26163PS-9620SY018047BORONIC ACID, (2-FLUORO-4-METHYLPHENYL)-2-TERT-BUTOXYCARBFT-0643637

데이터베이스 식별자

CAS: 170981-26-7
PubChem CID: 2783132
DTXSID: DTXSID60382450
ChEMBL: CHEMBL1824171
EC Number: 675-651-2
Nikkaji: J3.622.415K

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

물리화학적 성질

녹는점: 228 · 228-233 °C(lit.)
끓는 점: 277.8 · 277.8±50.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 8 · 8+-.0.58(Predicted)
색상: 흰색에서 황백색까지
안정성: 흡습성
InChI: InChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3
InChIKey: LIXXGOMAGHXIMP-UHFFFAOYSA-N
SMILES: B(C1=CC=C(C)C=C1F)(O)O

화학적 성질

Off-White Crystalline Powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-27-36/37/39
위험 등급: IRRITANT
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야

용도2-Fluoro-4-methylphenylboronic Acid (cas# 170981-26-7) is a compound useful in organic synthesis.

상·하류 제품 정보

상류 원료

공급사100 곳

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]

上海策嵘生物科技有限公司[email protected]

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

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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