5-브로모-2-메톡시페닐보론산

5-Bromo-2-methoxyphenylboronic acid

HCID 4532730

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 89694-45-1
표준 SMILES: COc1ccc(Br)cc1B(O)O
InChIKey: FVRLSHRAYPFXRQ-UHFFFAOYSA-N
분자식: C7H8BBrO3
평균 분자량: 230.85 g/mol
단동위원소 질량: 229.97499

이름 및 식별자

우선 이름: 5-Bromo-2-methoxyphenylboronic acid
IUPAC: (5-bromo-2-methoxyphenyl)boronic acid
현지명: 5-브로모-2-메톡시페닐보론산
영어명: 5-BROMO-2-METHOXYPHENYLBORONIC ACID
분자식: C7H8BBrO3
분자량: 230.85

이름 및 동의어

5-Bromo-2-methoxyphenylboronic acid89694-45-1DTXSID204040065-Bromo-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride)RefChem:533309DTXCID70354860627-323-5(5-bromo-2-methoxyphenyl)boronic acidMFCD000934095-BROMO-2-METHOXYBENZENEBORONIC ACID5-BROMO-2-METHOXYPHENYLBORONICACID(5-Bromo-2-methoxy)benzeneboronic acid

이름 더 보기

5-브로모-2-메톡시페닐보론산RARECHEM AH PB 00454-Bromoanisole-2-boronic acid2-bromo-5-methoxypyridin-4-ylboronic acidBoronic acid,B-(5-broMo-2-Methoxyphenyl)-5-Bromo-2-methoxyphenylboronic acid - [B1820]

(5-bromo-2-methoxy-phenyl)boronic Acid3-BROMO-6-METHOXYPHENYLBORONIC ACIDBoronic acid, (5-bromo-2-methoxyphenyl)-SCHEMBL1235272FVRLSHRAYPFXRQ-UHFFFAOYSA-N(5-Bromo-2-methoxyphenyl)boronicacid5-bromo-2-methoxy-phenylboronic acid5-bromo-2-methyloxyphenylboronic acid

데이터베이스 식별자

CAS: 89694-45-1
PubChem CID: 4532730
DTXSID: DTXSID20404006
EC Number: 627-323-5
Nikkaji: J2.617.190C

물성

구조 계산 물성

극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 145

물리화학적 성질

녹는점: 130 · 130-135 °C(lit.)
끓는 점: 378 ℃ · 378℃
밀도: 1.61 · 1.61
인화점: 183 ℃ · 183℃
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 7.58 · 7.58±0.58(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지
InChI: 1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
InChIKey: FVRLSHRAYPFXRQ-UHFFFAOYSA-N
SMILES: COc1ccc(Br)cc1B(O)O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.