Ethyl 4-chloro-7-methyl-1,8-naphthyridine-3-carboxylate

HCID 10562672

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 33331-57-6
표준 SMILES: CCOC(=O)c1cnc2nc(C)ccc2c1Cl
InChIKey: HKTABMXYYNWMQH-UHFFFAOYSA-N
분자식: C12H11ClN2O2
평균 분자량: 250.68 g/mol
단동위원소 질량: 250.0509053

이름 및 식별자

우선 이름: Ethyl 4-chloro-7-methyl-1,8-naphthyridine-3-carboxylate
IUPAC: ethyl 4-chloro-7-methyl-1,8-naphthyridine-3-carboxylate
영어명: 4-Chloro-7-methyl-[1,8]naphthyridine-3-carboxylic acid ethyl ester
분자식: C12H11ClN2O2
분자량: 250.68

이름 및 동의어

Ethyl 4-chloro-7-methyl-1,8-naphthyridine-3-carboxylate33331-57-6DTXSID10441809RefChem:343913DTXCID60392630887-027-94-Chloro-7-methyl-[1,8]naphthyridine-3-carboxylic acid ethyl ester3-Carbethoxy-4-chloro-7-methyl-1,8-naphthyridineSCHEMBL2022576HKTABMXYYNWMQH-UHFFFAOYSA-NIBA33157MFCD09837246

이름 더 보기

1,8-Naphthyridine-3-carboxylic acid, 4-chloro-7-methyl-, ethyl ester

AKOS000320279DB-128906EN300-77527G44795Ethyl4-chloro-7-methyl-1,8-naphthyridine-3-carboxylateEthyl 4-Chloro-7-methyl-[1,8]naphthyridine-3-carboxylate4-chloro-7-methyl-1,8-Naphthyridine-3-carboxylic acid ethyl ester

데이터베이스 식별자

CAS: 33331-57-6
PubChem CID: 10562672
DTXSID: DTXSID10441809
EC Number: 887-027-9

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 52.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 288

물리화학적 성질

끓는 점: 344.4 · 344.4±37.0 °C(Predicted)
밀도: 1.301 · 1.301±0.06 g/cm3(Predicted)
산도 계수 (pKa): 1.58 · 1.58±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.