2-아미노-5-클로로-니코틴산메틸에스테르

Methyl 2-amino-5-chloronicotinate

HCID 15828199

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 50735-33-6
표준 SMILES: COC(=O)c1cc(Cl)cnc1N
InChIKey: PEYKGXOKTQNWCI-UHFFFAOYSA-N
분자식: C7H7ClN2O2
평균 분자량: 186.59 g/mol
단동위원소 질량: 186.0196052

이름 및 식별자

우선 이름: Methyl 2-amino-5-chloronicotinate
IUPAC: methyl 2-amino-5-chloropyridine-3-carboxylate
현지명: 2-아미노-5-클로로-니코틴산메틸에스테르
영어명: 2-Amino-5-chloro-nicotinic acid methyl ester
분자식: C7H7ClN2O2
분자량: 186.6

이름 및 동의어

Methyl 2-amino-5-chloronicotinateRefChem:814064816-991-550735-33-62-AMINO-5-CHLORO-NICOTINIC ACID METHYL ESTERMETHYL 2-AMINO-5-CHLOROPYRIDINE-3-CARBOXYLATEMFCD090316783-Pyridinecarboxylic acid, 2-amino-5-chloro-, methyl estermethyl 2-amino-5-chloro-pyridine-3-carboxylate2-AMINO-5-CHLORO-NICOTINICACIDMETHYLESTERSCHEMBL914850SCHEMBL29733564

이름 더 보기

2-아미노-5-클로로-니코틴산메틸에스테르

Methyl2-amino-5-chloronicotinateDTXSID50578668PEYKGXOKTQNWCI-UHFFFAOYSA-NACA73533Methyl 2-amino-5-chloronicotinate?AKOS006238320AB49362AC-33905

데이터베이스 식별자

CAS: 50735-33-6
PubChem CID: 15828199
DTXSID: DTXSID50578668
EC Number: 816-991-5
Nikkaji: J992.485J

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 65.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 177

물리화학적 성질

저장 조건: Keep in dark place,Inert atmosphere,Room temperature
InChI: InChI=1S/C7H7ClN2O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)
InChIKey: PEYKGXOKTQNWCI-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Cl)C=C1C(OC)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.