(2,6-Dimethoxypyridin-3-yl)boronic acid

HCID 2762707CAS 221006-70-8

기본 정보

표준 SMILES: COc1ccc(B(O)O)c(OC)n1
InChIKey: ADGHSWFUZUADDH-UHFFFAOYSA-N
분자식: C7H10BNO4
평균 분자량: 182.97 g/mol
단동위원소 질량: 183.0702882

이름 및 식별자

우선 이름: (2,6-Dimethoxypyridin-3-yl)boronic acid
IUPAC: (2,6-dimethoxy-3-pyridinyl)boronic acid
영어명: 2,6-Dimethoxypyridine-3-boronic acid
분자식: C7H10BNO4
분자량: 182.97

이름 및 동의어

(2,6-dimethoxypyridin-3-yl)boronic AcidRefChem:394704623-227-2221006-70-82,6-Dimethoxypyridine-3-boronic acid2,6-Dimethoxypyridin-3-ylboronic acid2,6-Dimethoxy-3-pyridineboronic acidMFCD037882392,6-Dimethoxy-3-pyridylboronic AcidSCHEMBL3214882,6-dimethoxypyridin-3-boronic acid2,6-dimethoxy-pyridin-3-boronic acid

이름 더 보기

3-Borono-2,6-dimethoxypyridine2,6-Dimethoxypyridine-3-Boroni2,6-DIMETHOXY-3-PYRIDYL BORONIC ACID2,6-DIMETHOXYPYRIDINE-5-BORONIC ACID2,6-DIMETHOXYL-5-PYRIDINEBORONIC ACID(2,6-dimethoxypyridin-3-yl)boronicaci(2,6-dimethoxy-3-pyridinyl)boronic acid

RS-1019Boronic acid, (2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-pyridiorb2940492DTXSID30376381ADGHSWFUZUADDH-UHFFFAOYSA-NSTL555902TYD-00086

데이터베이스 식별자

CAS: 221006-70-8
PubChem CID: 2762707
DTXSID: DTXSID30376381
EC Number: 623-227-2
Nikkaji: J2.448.794F

물성

구조 계산 물성

극성 표면적: 71.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 157

물리화학적 성질

녹는점: 128 · 128-130°C
끓는 점: 341.2 · 341.2±52.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: 분말 또는 결정
산도 계수 (pKa): 7.28 · 7.28±0.58(Predicted)
색상: 흰색에서 거의 흰색
BRN: 9391039 · 9391039
InChI: 1S/C7H10BNO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,10-11H,1-2H3
InChIKey: ADGHSWFUZUADDH-UHFFFAOYSA-N
SMILES: COc1ccc(B(O)O)c(OC)n1

안전 및 규제

GHS 분류

GHS Classification · 4건

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 48 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

wgk: 2
HS 번호: 2933399990
risk_code: 36/37/38-36/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Reactant for:Preparation of benzopyranone derivatives as positive GABAA receptor modulatorsPreparation of pyrazine derivatives as orally active corticotropin releasing factor-1 receptor antagonistsMicrowave-enhanced synthesis of trisubstituted pyridazinesPreparation of biaryl derivatives via palladium-catalyzed Suzuki-Miyaura cross-coupling reaction with aryl- or heteroaryl halidesPreparation of 3-arylpyridines via palladium-P Phos catalyzed Suzuki cross coupling