Ethyl isonicotinate

HCID 15291CAS 1570-45-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)c1ccncc1
InChIKey
MCRPKBUFXAKDKI-UHFFFAOYSA-N
분자식
C8H9NO2
평균 분자량
151.16 g/mol
단동위원소 질량
151.06332853

이름 및 식별자

우선 이름
Ethyl isonicotinate
IUPAC
ethyl pyridine-4-carboxylate
영어명
Ethyl isonicotinate
분자식
C8H9NO2
분자량
151.16

이름 및 동의어

ETHYL ISONICOTINATE1570-45-24-Pyridinecarboxylic acid, ethyl ester4-CarbethoxypyridineEthyl 4-pyridinecarboxylateIsonicotinic acid, ethyl ester4-CarboethoxypyridineONG7XTI4BLgamma-Pyridinecarboxylic acid ethyl esterNSC-6854DTXSID6061789RefChem:138965
이름 더 보기
ethyl isonicitateEthyl isonicotiteRARECHEM AL BI 0097Isonicotinoyl EthylTuobisite Impurity 6
DTXCID4035043216-379-2ethyl pyridine-4-carboxylate4-Picolinic acid ethyl esterIsonicotinic acid ethyl ester4-pyridinecarboxylic acid ethyl esterMFCD00006428.gamma.-Pyridinecarboxylic acid ethyl ester

데이터베이스 식별자

CAS
1570-45-2
PubChem CID
15291
DTXSID
DTXSID6061789
ChEMBL
CHEMBL2251613
UNII
ONG7XTI4BL
EC Number
216-379-2
Nikkaji
J27.968D

물성

구조 계산 물성

XLogP
1.4
극성 표면적
39.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
11

실험 및 물리화학적 성질

Kovats Retention Index · 3건

1174.8

1201

1755

물리화학적 성질

녹는점
23 °C · 23°C
끓는 점
92 °C/8 · 92 °C/8 mmHg (lit.)
밀도
1.009 g/mL · 1.009 g/mL at 25 °C (lit.)
증기압
17.9 Pa · 17.9Pa at 25℃
굴절률
20 · n20/D 1.501(lit.)
인화점
190 °F · 190 °F

화학적 성질

clear colorless to light brown liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89.4%): 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 47 reports by companies from 6 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.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 04-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16612

4-Pyridinecarboxylic acid, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (91.5%)；Eye Irrit. 2 (100%)；STOT SE 3 (89.4%)

규제 정보

Regulatory Information · 2건

Status: Active Update: 04-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16612

4-Pyridinecarboxylic acid, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
NS1450000
ridadr
NA 1993 / PGIII
HS 번호
29333999
risk_code
36/37/38

화학 및 산업

용도 및 제조

General Manufacturing Information4-Pyridinecarboxylic acid, ethyl ester: INACTIVE

응용 분야

용도Ethyl isonicotinate is an organic building block, used in the synthesis of various pharmaceutical and biologically active compounds. It is also a pyridine compound that is shown to be able to trap the thrips in the corp.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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