기본 정보
- CAS
149507-26-6- 표준 SMILES
COc1ccc(B(O)O)cc1F- InChIKey
IILGLPAJXQMKGQ-UHFFFAOYSA-N- 분자식
- C7H8BFO3
- 평균 분자량
- 169.95 g/mol
이름 및 식별자
- 우선 이름
- 3-Fluoro-4-methoxyphenylboronic acid
- IUPAC
- (3-fluoro-4-methoxyphenyl)boronic acid
- 영어명
- 3-Fluoro-4-methoxybenzeneboronic acid
- 분자식
- C7H8BFO3
- 분자량
- 169.95
이름 및 동의어
149507-26-63-Fluoro-4-methoxyphenylboronic acidRefChem:501780674-959-43-Fluoro-4-methoxybenzeneboronic acid(3-fluoro-4-methoxyphenyl)boronic acidMFCD00807404Boronic acid, B-(3-fluoro-4-methoxyphenyl)-Boronic acid, (3-fluoro-4-methoxyphenyl)-DD8MG33H8V4-METHOXY-3-FLUOROPHENYLBORONIC ACIDSTK090562
이름 더 보기
AKOS BRN-02153-Fluoro-4-methoxybeuoro-4-methoxyphenyL4-Borono-2-fluoroanisole3-Fluoro-4-Methoxyphenylboroni3-Fluoro-4-methoxybenzeneboronicaci3-Fluoro-4-methyloxyphenylboronic acid
3-fluoro-4-methoxy-phenylboronic acidAKOS004116596(3-fluoro-4-methoxyphenyl)-boronic acid(3-Fluoro-4-methyloxyphenyl)boronic acidHY-32922B-(3-Fluoro-4-methoxyphenyl)boronic acidF0876EN300-117479
데이터베이스 식별자
- CAS
149507-26-6- PubChem CID
- 2782194
- UNII
- DD8MG33H8V
- EC Number
- 674-959-4
- Nikkaji
- J3.523.324E
물성
구조 계산 물성
- 극성 표면적
- 49.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 145
물리화학적 성질
- 녹는점
- 206 · 206-211 °C (lit.)
- 끓는 점
- 318.1 · 318.1±52.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 산도 계수 (pKa)
- 7.87 · 7.87±0.10(Predicted)
- 물리적 상태
- 가루
- 색상
- White to Light yellow to Light orange
- BRN
- 7370120 · 7370120
- InChI
- 1S/C7H8BFO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3
- InChIKey
- IILGLPAJXQMKGQ-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1F)B(O)O
화학적 성질
White solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (25%)
안전 데이터
- wgk
- 3
- HS 번호
- 29319090
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-36-24/25
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
응용 분야
용도suzuki reaction
일반 설명Contains varying amounts of anhydride
상·하류 제품 정보
상류 원료
하류 제품
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