기본 정보
- 표준 SMILES
Cc1cc(Cl)ccc1B(O)O- InChIKey
SRXXSLUUAWHGBZ-UHFFFAOYSA-N- 분자식
- C7H8BClO2
- 평균 분자량
- 170.4 g/mol
- 단동위원소 질량
- 170.03058758
이름 및 식별자
- 우선 이름
- (4-Chloro-2-methylphenyl)boronic acid
- IUPAC
- (4-chloro-2-methylphenyl)boronic acid
- 영어명
- 4-CHLORO-2-METHYLPHENYLBORONIC ACID
- 분자식
- C7H8BClO2
- 분자량
- 170.4
이름 및 동의어
(4-chloro-2-methylphenyl)boronic acidRefChem:402606681-532-64-Chloro-2-methylphenylboronic acid209919-30-24-chloro-2-methylbenzeneboronic acid4-Chloro-o-tolylboronic acidMFCD02683107(4-chloro-2-methyl-phenyl)boronic Acid2-methyl-4-chlorophenylboronic acid2-methyl-4-chloro-phenylboronic acid2-methyl-4-chlorophenyl-boronic acid
이름 더 보기
AKOS BRN-02294-CHLORO-2-METHYLPHENYL2-Borono-5-chlorotoluene4-CHLORO-O-TOLUENEBORONIC ACID4-Chloro-2-Methylphenylboronic(4-chloro-2-methylphenyl)boronicaci(2-Methyl-4-chlorophenyl)boronic acid
(4-chloro-2-methylphenyl) boronic acid4-Chloro-2-methylphenylboronic Acid (contains varying amounts of Anhydride)Boronic acid, (4-chloro-2-methylphenyl)-4-chloro-2-methylphenyl boronic acidAM20050347SCHEMBL6244025-chloro-o-toluene boronic acidSCHEMBL29825793
데이터베이스 식별자
- CAS
209919-30-2- PubChem CID
- 5017600
- DTXSID
DTXSID90407549- EC Number
- 681-532-6
- Nikkaji
- J3.130.046K
물성
구조 계산 물성
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 132
물리화학적 성질
- 녹는점
- 193 · 193-195°C
- 끓는 점
- 314.9 · 314.9±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
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 8.47 · 8.47±0.58(Predicted)
- 색상
- 흰색에서 거의 흰색
- InChIKey
- SRXXSLUUAWHGBZ-UHFFFAOYSA-N
화학적 성질
White solid
안전 및 규제
GHS 분류
GHS Classification
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 45 reports by companies from 5 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
- HS 번호
- 29319090
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-36
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도suzuki reaction
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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