3-아미노-5-트리플루오로메틸-피리딘-2-카르복실산메틸에스테르

Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate

HCID 58964419

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 866775-17-9
표준 SMILES: COC(=O)c1ncc(C(F)(F)F)cc1N
InChIKey: RPBPQAHDCODVNJ-UHFFFAOYSA-N
분자식: C8H7F3N2O2
평균 분자량: 220.15 g/mol
단동위원소 질량: 220.04596196

이름 및 식별자

우선 이름: Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate
IUPAC: methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate
현지명: 3-아미노-5-트리플루오로메틸-피리딘-2-카르복실산메틸에스테르
영어명: 3-Amino-5-trifluoromethyl-pyridine-2-carboxylic acid methyl ester
분자식: C8H7F3N2O2
분자량: 220.15

이름 및 동의어

866775-17-9Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylateDTXSID40730718RefChem:815220DTXCID30681462874-350-5METHYL 3-AMINO-5-(TRIFLUOROMETHYL)PICOLINATE3-Amino-5-trifluoromethyl-pyridine-2-carboxylic acid methyl esterMFCD18259060Methyl 3-amino-5-(trifluoromethyl)-2-pyridinecarboxylate2-Pyridinecarboxylic acid, 3-amino-5-(trifluoromethyl)-, methyl esterSCHEMBL2373041

이름 더 보기

3-아미노-5-트리플루오로메틸-피리딘-2-카르복실산메틸에스테르3-amino-5-(trifluoromethyl)-2-pyridinecarboxylic acid methyl ester

SCHEMBL29699314AKOS023413076SB39177AS-41905SY222158DB-331088CS-0169427EN300-365849

데이터베이스 식별자

CAS: 866775-17-9
PubChem CID: 58964419
DTXSID: DTXSID40730718
EC Number: 874-350-5

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 65.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 245

물리화학적 성질

끓는 점: 326.2 · 326.2±42.0 °C(Predicted)
밀도: 1.408 · 1.408±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 0.23 · 0.23±0.10(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.