(4-Fluoro-3-methylphenyl)boronic acid

HCID 2774580CAS 139911-27-6

기본 정보

표준 SMILES: Cc1cc(B(O)O)ccc1F
InChIKey: JCIJCHSRVPSOML-UHFFFAOYSA-N
분자식: C7H8BFO2
평균 분자량: 153.95 g/mol
단동위원소 질량: 154.06013812

이름 및 식별자

우선 이름: (4-Fluoro-3-methylphenyl)boronic acid
IUPAC: (4-fluoro-3-methylphenyl)boronic acid
영어명: 4-Fluoro-3-methylphenylboronic acid
분자식: C7H8BFO2
분자량: 153.95

이름 및 동의어

(4-fluoro-3-methylphenyl)boronic acidRefChem:402833640-290-14-Fluoro-3-methylphenylboronic acid139911-27-63-methyl-4-fluorophenylboronic acid4-Fluoro-3-methylbenzeneboronic acidMFCD01863527SCHEMBL1775673-methyl-4-fluorophenylboronicacidAN-967/25120030AS-2626

이름 더 보기

AKOS BRN-0103RARECHEM AH PB 0182CHEMBRDG-BB 40033005-Borono-2-fluorotoluene4-Fluoro-3-methylphenylboronicaci

AC-29811EN300-3840854-Fluoro-m-tolylboronic AcidBORONIC ACID, (4-FLUORO-3-METHYLPHENYL)-AM86583(4-fluoro-3-methyl-phenyl)boronic acid4-flouro-3-methylphenylFT-0618482

데이터베이스 식별자

CAS: 139911-27-6
PubChem CID: 2774580
DTXSID: DTXSID20379109
EC Number: 640-290-1
Nikkaji: J3.151.941A

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: 212 · 212-217 °C (lit.)
끓는 점: 282 · 282.0±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
산도 계수 (pKa): 8.71 · 8.71±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지
BRN: 7474834 · 7474834
InChI: 1S/C7H8BFO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,10-11H,1H3
InChIKey: JCIJCHSRVPSOML-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1F)B(O)O

화학적 성질

Off-white Cryst

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (20%): 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 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.