피콜리닉산에틸에스테르

Ethyl 2-pyridinecarboxylate

HCID 17307CAS 2524-52-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1ccccn1
InChIKey: FQYYIPZPELSLDK-UHFFFAOYSA-N
분자식: C8H9NO2
평균 분자량: 151.16 g/mol
단동위원소 질량: 151.06332853

이름 및 식별자

우선 이름: Ethyl 2-pyridinecarboxylate
IUPAC: ethyl pyridine-2-carboxylate
현지명: 피콜리닉산에틸에스테르
영어명: Ethyl picolinate
분자식: C8H9NO2
분자량: 151.16

이름 및 동의어

ETHYL PICOLINATE2524-52-9Ethyl pyridine-2-carboxylateEthyl 2-pyridinecarboxylate2-Pyridinecarboxylic acid, ethyl ester2-pyridinecarboxylic acid ethyl esterRW5EU98AZQNSC-959NSC-31651DTXSID9062489RefChem:139045DTXCID9037246

이름 더 보기

피콜리닉산에틸에스테르에틸 피콜린산Ethyl picoliteEthyl pyridinatePyridine-2-A Ethyl2-ETHYL PICOLINATERARECHEM AL BI 0182Ethyl picolinate ,99%Ethyl 2-picolinate 99%Ethyl 2-picolinate ,99%

219-758-0Ethyl 2-picolinate2-Picolinic acid ethyl esterPicolinic acid ethyl ester2-(Ethoxycarbonyl)pyridinePicolinic acid, ethyl esterMFCD00006292Ethyl2-picolinate

데이터베이스 식별자

CAS: 2524-52-9
PubChem CID: 17307
DTXSID: DTXSID9062489
ChEMBL: CHEMBL2251607
UNII: RW5EU98AZQ
EC Number: 219-758-0
Nikkaji: J27.973K

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

FragrancesFragrance Ingredient (2-Pyridinecarboxylic acid, ethyl ester) -> IFRA transparency List

물리화학적 성질

녹는점: 2 °C · 2 °C (lit.)
끓는 점: 240 · 240-241 °C (lit.)
밀도: 1.119 g/mL · 1.119 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.511(lit.)
인화점: 225 °F · 225 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 1.83 · 1.83±0.10(Predicted)
색상: 맑은 노란색 또는 분홍색
수용성: 혼용 가능
BRN: 122485 · 122485
InChI: 1S/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKey: FQYYIPZPELSLDK-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccccn1
LogP: 0.87 · 0.870
NIST: 2 · 2-Pyridinecarboxylic acid, ethyl ester(2524-52-9)
EPA: Ethyl picolinate (2524-52-9)

화학적 성질

clear yellowish or pink liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.7% (90 of 135) of all reports.

Warning

H315 (29.6%): 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 135 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 2-Pyridinecarboxylic acid, ethyl ester

2-Pyridinecarboxylic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (29.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29333999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Use ClassificationFragrance Ingredients

General Manufacturing Information2-Pyridinecarboxylic acid, ethyl ester: ACTIVE

응용 분야

용도Ethyl picolinate can be used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.

상·하류 제품 정보

상류 원료

하류 제품

Ethyl picolinoylacetate 4'-Chloro-2,2':6',2''-terpyridine 3,5-디(2-피리딜)피라졸 피리딘,2-(4,5-디하이드로-2-옥사졸릴)-(9Cl)2,6-Bis(2-pyridyl)-4(1H)-pyridone

공급사50 곳

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