4-(Benzyloxy)pyridine N-oxide

HCID 295871CAS 2683-66-1

기본 정보

표준 SMILES: [O-][n+]1ccc(OCc2ccccc2)cc1
InChIKey: SUSQPKJQYWTFPU-UHFFFAOYSA-N
분자식: C12H11NO2
평균 분자량: 201.22 g/mol
단동위원소 질량: 201.07897859

이름 및 식별자

우선 이름: 4-(Benzyloxy)pyridine N-oxide
IUPAC: 1-oxido-4-phenylmethoxypyridin-1-ium
영어명: 4-(Benzyloxy)pyridine N-oxide
분자식: C12H11NO2
분자량: 201.22

이름 및 동의어

4-(Benzyloxy)pyridine N-oxideDTXSID20304350RefChem:515260DTXCID50255482627-629-92683-66-14-(Benzyloxy)pyridine 1-oxide4-Benzyloxypyridine n-oxide4-(benzyloxy)pyridin-1-ium-1-olate1-oxido-4-phenylmethoxypyridin-1-iumMFCD000474274-BENZYLOXYPYRIDINE-N-OXIDE

이름 더 보기

4-BENZYLOXYPYRIDINE-1-OXIDEPyridine,4-(benzyloxy)-,1-oxide4-(Benzyloxy)pyridine N-oxide,97%4-(Benzyloxy)pyridine N-oxide ,98%4-(benzyloxy)-1$l^{5}-pyridin-1-one4-(Benzyloxy)pyridine N-oxide, HPLC 97%

4-(phenylmethoxy)pyridin-1-ol4-Benzyloxypyridine 1-oxidePyridine, 4-(phenylmethoxy)-, 1-oxideNSC1654894-bezyloxypyridine 1-oxide4-(Benzyloxy)pyridineN-oxide4-benzyloxy-pyridine 1-oxideMLS001180569

데이터베이스 식별자

CAS: 2683-66-1
PubChem CID: 295871
DTXSID: DTXSID20304350
ChEMBL: CHEMBL1709511
EC Number: 627-629-9
Nikkaji: J1.402.671A

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 34.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 172

실험 및 물리화학적 성질

Solubility>30.2 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 178 · 178-179 °C (dec.)(lit.)
끓는 점: 415.3 · 415.3±20.0 °C(Predicted)
밀도: 1.09 · 1.09±0.1 g/cm3(Predicted)
산도 계수 (pKa): 2.25 · 2.25±0.10(Predicted)
BRN: 165005 · 165005
InChI: 1S/C12H11NO2/c14-13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey: SUSQPKJQYWTFPU-UHFFFAOYSA-N
SMILES: [O-][n+]1ccc(OCc2ccccc2)cc1

화학적 성질

White to off-white crystalline powder

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 43 reports by companies from 3 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: 3
HS 번호: 29333990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명4-(Benzyloxy)pyridine N-oxide is a 4-substituted pyridine-1-oxide. It undergoes hydrogenation over palladium to afford pyridine. It participates in the stereoselective synthesis of substituted pyridines, piperidines and piperazines.

상·하류 제품 정보

상류 원료

하류 제품

Indole-3-carboxylic acid 4-Methoxypyridine N-oxide

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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