메틸2-(클로로메틸)니코티네이트

Methyl 2-(chloromethyl)pyridine-3-carboxylate

HCID 19081344CAS 177785-14-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cccnc1CCl
InChIKey: AMIVNKVBDFJAFD-UHFFFAOYSA-N
분자식: C8H8ClNO2
평균 분자량: 185.61 g/mol
단동위원소 질량: 185.02435618

이름 및 식별자

우선 이름: Methyl 2-(chloromethyl)pyridine-3-carboxylate
IUPAC: methyl 2-(chloromethyl)pyridine-3-carboxylate
현지명: 메틸2-(클로로메틸)니코티네이트
영어명: Methyl 2-(chloromethyl)nicotinate
분자식: C8H8ClNO2
분자량: 185.61

이름 및 동의어

177785-14-7METHYL 2-(CHLOROMETHYL)PYRIDINE-3-CARBOXYLATEDTXSID00597889RefChem:353917DTXCID90548648862-201-7METHYL 2-(CHLOROMETHYL)NICOTINATE3-Pyridinecarboxylic acid, 2-(chloromethyl)-, methyl esterMFCD106994382-Chloromethyl-nicotinic acid methyl ester2-Chloromethyl-pyridine-3-carboxylic acid methyl ester2-(CHLOROMETHYL)NICOTINIC ACID METHYL ESTER

이름 더 보기

메틸2-(클로로메틸)니코티네이트Methyl 2-(chloromethyl)nicotinate - [M70459]METHYL 2-(CHLOROMETHYL)NICOTINATE ISO 9001：2015 REACH

SCHEMBL242591methyl (chloromethyl)nicotinatemethyl2-(chloromethyl)nicotinateSCHEMBL29363643AMIVNKVBDFJAFD-UHFFFAOYSA-NMethyl 2-(chloroomethyl)nicotinateCHA78514AKOS006303203

데이터베이스 식별자

CAS: 177785-14-7
PubChem CID: 19081344
DTXSID: DTXSID00597889
EC Number: 862-201-7

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

물리화학적 성질

끓는 점: 279.4 · 279.4±30.0 °C(Predicted)
밀도: 1.252 · 1.252±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 1.67 · 1.67±0.22(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야 · 1건

용도Methyl 2-(chloromethyl)nicotinate is an intermediate used in synthesizing NAI 1 (N215005), which is used in the process of visualizing the physical basis for molecular behavious inside living cells. RNAs are central to biological regulation and this molecule aids in the first global view of RNA secondary structures in living cells for all four bases.