5-Formyl-2-methoxyphenylboronic acid

HCID 2734367CAS 127972-02-5

기본 정보

표준 SMILES: COc1ccc(C=O)cc1B(O)O
InChIKey: NKKNXLPHCRLBDY-UHFFFAOYSA-N
분자식: C8H9BO4
평균 분자량: 179.97 g/mol
단동위원소 질량: 180.05938917

이름 및 식별자

우선 이름: 5-Formyl-2-methoxyphenylboronic acid
IUPAC: (5-formyl-2-methoxyphenyl)boronic acid
영어명: 2-Methoxy-5-formylphenylboronic acid
분자식: C8H9BO4
분자량: 179.97

이름 및 동의어

127972-02-55-Formyl-2-methoxyphenylboronic acidDTXSID20370257RefChem:303243DTXCID10321293626-939-12-Methoxy-5-formylphenylboronic acid(5-formyl-2-methoxyphenyl)boronic acidMFCD013190445-Formyl-2-methoxybenzeneboronic Acid(5-formyl-2-methoxy-phenyl)boronic AcidBoronic acid, B-(5-formyl-2-methoxyphenyl)-

이름 더 보기

BM608AC 35954AKOS BRN-0108512257_ALDRICH-2-methoxyphenyLRARECHEM AH PB 0105CHEMBRDG-BB 32009773-borono-p-anisaldehyde3-BORONO-4-METHOXYBENZALDEHYDE5-Formyl-2-Methoxyphenylboroni

2-Methoxy-5-formylbenzeneboronic acid(5-formyl-2-methoxyphenyl)boronicacidAKOS0041163225-formyl-2-methoxy phenyl boronic acidBP-11847F0834EN300-7373078BORONIC ACID, (5-FORMYL-2-METHOXYPHENYL)-

데이터베이스 식별자

CAS: 127972-02-5
PubChem CID: 2734367
DTXSID: DTXSID20370257
EC Number: 626-939-1
Nikkaji: J1.127.094H

물성

구조 계산 물성

극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 154 · 154-157 °C(lit.)
끓는 점: 417.4 · 417.4±55.0 °C(Predicted)
밀도: 1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): 7.86 · 7.86±0.58(Predicted)
물리적 상태: 가루
색상: 밝은 오렌지색
BRN: 5334095 · 5334095

화학적 성질

light orange powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (88.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.