4-Cyclohexyloxy-benzeneboronic acid

HCID 22289818

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 570398-88-8
표준 SMILES: OB(O)c1ccc(OC2CCCCC2)cc1
InChIKey: LRWBGLILWSKAMP-UHFFFAOYSA-N
분자식: C12H17BO3
평균 분자량: 220.07 g/mol

이름 및 식별자

우선 이름: 4-Cyclohexyloxy-benzeneboronic acid
IUPAC: (4-cyclohexyloxyphenyl)boronic acid
영어명: [4-(cyclohexyloxy)phenyl]boronic acid
분자식: C12H17BO3
분자량: 220.07

이름 및 동의어

570398-88-84-Cyclohexyloxy-benzeneboronic acidRefChem:522338822-599-54-(cyclohexyloxy)phenylboronic acid(4-(cyclohexyloxy)phenyl)boronic acid[4-(cyclohexyloxy)phenyl]boronic acidBoronic acid, [4-(cyclohexyloxy)phenyl]-(4-cyclohexyloxyphenyl)boronic acidMFCD08701752[4-(CYCLOHEXYLOXY)PHENYL]BORANEDIOL4-cyclohexyloxybenzeneboronic acid

이름 더 보기

(4-(Cyclohexyloxy)phenyl)boronic acid - [C89634]

[4-(cyclohexoxy)phenyl]boronic acidBoronic acid, B-[4-(cyclohexyloxy)phenyl]-SCHEMBL625357VXA39888(4-(cyclohexyloxy)phenyl)boronicacid4-(Cyclohexyloxy)phenyl]boronic acidAC6380AKOS004115094

데이터베이스 식별자

CAS: 570398-88-8
PubChem CID: 22289818
EC Number: 822-599-5

물성

구조 계산 물성

극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 196

물리화학적 성질

끓는 점: 390.7 · 390.7±44.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 8.71 · 8.71±0.16(Predicted)
InChI: InChI=1S/C12H17BO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h6-9,11,14-15H,1-5H2
InChIKey: LRWBGLILWSKAMP-UHFFFAOYSA-N
SMILES: B(C1=CC=C(OC2CCCCC2)C=C1)(O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.