2,6-디클로로-3-(클로로메틸)피리딘

Pyridine, 2,6-dichloro-3-(chloromethyl)-

HCID 6451791CAS 41789-37-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: ClCc1ccc(Cl)nc1Cl
InChIKey: CMPPTKONDXHDBF-UHFFFAOYSA-N
분자식: C6H4Cl3N
평균 분자량: 196.5 g/mol
단동위원소 질량: 194.940932

이름 및 식별자

우선 이름: Pyridine, 2,6-dichloro-3-(chloromethyl)-
IUPAC: 2,6-dichloro-3-(chloromethyl)pyridine
현지명: 2,6-디클로로-3-(클로로메틸)피리딘
영어명: 2,6-Dichloro-3-(chloromethyl)pyridine
분자식: C6H4Cl3N
분자량: 196.46

이름 및 동의어

41789-37-1Pyridine, 2,6-dichloro-3-(chloromethyl)-DTXSID20194612RefChem:376520DTXCID601171032,6-Dichloro-3-(chloromethyl)pyridineMFCD07368052SCHEMBL3788322,6-dichloro-3-chloromethylpyridine2,6-Dichloro-3-chloromethyl-pyridine2,6-dichloro-5-pyridylmethyl chloride2,6-dichloro-3-pyridyl

이름 더 보기

2,6-디클로로-3-(클로로메틸)피리딘2,6-Dichloro-3-picolyl chloride3-(Chloromethyl)-2,6-dichloropyridine

2,6-Dichlor-3-chlormethylpyridineSBB0920382,6-dichloro-3-pyridylmethyl chlorideAKOS005072923AB31596GD-07352,6-dichloro -3-pyridylmethyl chlorideAC-14623

데이터베이스 식별자

CAS: 41789-37-1
PubChem CID: 6451791
DTXSID: DTXSID20194612
EC Number: 992-504-0

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 109

물리화학적 성질

녹는점: 89 · 89-90°
끓는 점: 285.5 · 285.5±35.0 °C(Predicted)
밀도: 1.463 · 1.463
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -3.34 · -3.34±0.10(Predicted)
InChI: InChI=1S/C6H4Cl3N/c7-3-4-1-2-5(8)10-6(4)9/h1-2H,3H2
InChIKey: CMPPTKONDXHDBF-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC=C1CCl

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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+P354+P338, P317, P319, P321, P330, P332+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.