2,6-Bis(chloromethyl)pyridine (HCID 316654)

개요

structure in first source

이름 및 식별자

우선 이름: 2,6-Bis(chloromethyl)pyridine
IUPAC: 2,6-bis(chloromethyl)pyridine
영어명: 2,6-BIS(CHLOROMETHYL)PYRIDINE
분자식: C7H7Cl2N
분자량: 176.04

이름 및 동의어

2,6-Bis(chloromethyl)pyridine3099-28-3DTXSID30311712RefChem:83089DTXCID30262836627-975-0Pyridine, 2,6-bis(chloromethyl)-MFCD001428442,6-Bis-chloromethyl-pyridineNSC244982SCHEMBL7347282,6-Bis(chloromethyl)pyridine, 99%

이름 더 보기

α,α'-dichloro-2,6-lutidine2,6-Bis(chloromethyl)pyridine >2,6-Bis(chloromethyl)pyridine 99%2,6-BIS(CHLOROMETHYL)PYRIDINE 98+%ALPHA,ALPHA'-DICHLORO-2,6-LUTIDINE2,6-Bis(chloromethyl)pyridine,α,α′-Dichloro-2,6-lutidine

NSC-244982SY053497EN300-6736672FT-07535612,6-Bis(cA820682SCHEMBL59253102,6-bis-(chloromethyl)pyridine

데이터베이스 식별자

CAS: 3099-28-3
PubChem CID: 316654
DTXSID: DTXSID30311712
EC Number: 627-975-0
Nikkaji: J32.657G

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 87.6

물리화학적 성질

녹는점: 73 · 73-78 °C (lit.)
끓는 점: 110 °C · 110 °C / 3mmHg
밀도: 1.275 · 1.275±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 2.19 · 2.19±0.24(Predicted)
색상: 흰색에서 거의 흰색
BRN: 116355 · 116355
InChI: InChI=1S/C7H7Cl2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
InChIKey: IWQNFYRJSVJWQA-UHFFFAOYSA-N
SMILES: C1(CCl)=NC(CCl)=CC=C1

화학적 성질

White to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.6%): 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

wgk: 3
ridadr: UN 3335
HS 번호: 29333990
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-36/37/39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2,6-Bis(chloromethyl)pyridine may be used in the following studies:Synthesis of a sensitive fluorescent chemosensor for Hg2+, composed of two aminonaphthalimide fluorophores and a receptor of 2,6-bis(aminomethyl)pyridine.Preparation of carbene pincer ligands, required for the preparation of palladium pincer carbene complex.Synthesis of 2-(di-tert-butylphosphinomethyl)-6-diethylaminomethyl)pyridine, PNN ligand.

일반 설명2,6-Bis(chloromethyl)pyridine is a heterocyclic building block for the synthesis of a variety of pyridine derivatives. It coordinates with metal ions through N-atom to form complexes. The conformational flexibility of the bromomethyl arms makes it an ideal choice for the generation of macrocycles. 2,6-bis(chloromethyl)pyridine crystals are monoclinic with space group P21/c. Its synthesis has been reported. The FT-IR and FT-Raman spectra of 2,6-bis(chloromethyl)pyridine (BCMP) have been recorded in the regions 4000-400cm-1 and 3500-100cm-1, respectively.