3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid

HCID 2782818

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 505083-04-5
표준 SMILES: COC(=O)c1ccc(B(O)O)cc1F
InChIKey: YZYGXFXSMDUXJT-UHFFFAOYSA-N
분자식: C8H8BFO4
평균 분자량: 197.96 g/mol
단동위원소 질량: 198.04996736

이름 및 식별자

우선 이름: 3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid
IUPAC: (3-fluoro-4-methoxycarbonylphenyl)boronic acid
영어명: 3-FLUORO-4-METHOXYCARBONYLPHENYLBORONIC ACID
분자식: C8H8BFO4
분자량: 197.96

이름 및 동의어

(3-Fluoro-4-(methoxycarbonyl)phenyl)boronic acid3-Fluoro-4-(methoxycarbonyl)benzeneboronic acid[3-fluoro-4-(methoxycarbonyl)phenyl]boronic acidRefChem:501719692-018-6505083-04-53-Fluoro-4-methoxycarbonylphenylboronic acid3-fluoro-4-(methoxycarbonyl)phenylboronic acidMFCD04115665(3-fluoro-4-methoxycarbonylphenyl)boronic acidSCHEMBL363322SY003838

이름 더 보기

AKOS BRN-05473-FLUORO-4-METHOXYCARNONYLPHEN3-Fluoro-4-(Methoxycarbonyl)Ph3-Fluoro-4-(methoxycarbonyl)phenylbonoic3-Fluoro-4-MethoxycarbonylphenylboronicAci3-fluoro-4-methoxycarboxyphenylboronic acid3-FLUORO-4-METHOXYCARNONYLPHENYLBOEONIC ACID3-FLUORO-4-METHOXYCARBONYLBENZENEBORONIC ACID

F10873-fluoro-4-methoxycarbonyl-benzeneboronic acid3-Fluoro-4-methoxycarbonylphenyl boronic acidMethyl 4-borono-2-fluorobenzoate3-Fluoro-4-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)(3-fluoro-4-methoxycarbonyl-phenyl)boronic AcidDTXSID00382318BBL103827

데이터베이스 식별자

CAS: 505083-04-5
PubChem CID: 2782818
DTXSID: DTXSID00382318
EC Number: 692-018-6
Nikkaji: J3.408.545E

물성

구조 계산 물성

극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 212

물리화학적 성질

녹는점: 180 · 180-184°C
끓는 점: 361.8 · 361.8±52.0 °C(Predicted)
밀도: 1.33 · 1.33±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 6.61 · 6.61±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.