4-(Chloromethyl)pyridinium chloride (HCID 74570)

이름 및 식별자

우선 이름: 4-(Chloromethyl)pyridinium chloride
IUPAC: 4-(chloromethyl)pyridine;hydrochloride
영어명: 4-(Chloromethyl)pyridine hydrochloride
분자식: C6H6ClN.ClH
분자량: 164.03

이름 및 동의어

4-(Chloromethyl)pyridinium chloridePyridine, 4-(chloromethyl)-, hydrochlorideDTXSID00171264RefChem:515673DTXCID10937554-(Chloromethyl)-pyridinium chloride217-350-74-(Chloromethyl)pyridine hydrochloride1822-51-14-Picolyl chloride hydrochloride4-Chloromethylpyridine hydrochloride4-Chloromethyl-pyridine hydrochloride

이름 더 보기

4-Picolyl chlorideTIMTEC-BB SBB0039174-Picolyl chloride h4-Plcolyl Chloride Hydrochloride4-(Chloromethyl) Pyridine HCL 99%4-(Chloromethyl)pyridine hydrochl4-Picolyl chloride hydrochloride,97%

MFCD000128264-(chloromethyl)pyridine;hydrochloridePyridine, 4-(chloromethyl)-, hydrochloride (1:1)NSC-664834-(chloromethyl)pyridine, chloride4-CHLOROMETHYLPYRIDINE4-(CHLOROMETHYL)PYRIDINE HCLCCRIS 1728

데이터베이스 식별자

CAS: 1822-51-1
PubChem CID: 74570
DTXSID: DTXSID00171264
ChEMBL: CHEMBL4593693
UNII: W6PTX3LTA8
EC Number: 217-350-7

물성

구조 계산 물성

극성 표면적: 12.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 59.5

물리화학적 성질

녹는점: 166 · 166-173 °C(lit.)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 메탄올,DMSO에 용해됨
물리적 상태: 미세 결정성 분말
색상: 노란색에서 주황색으로
수용성: 750 g/L · 750g/L(20℃)
BRN: 3689154 · 3689154
InChI: InChI=1S/C6H6ClN.ClH/c7-5-6-1-3-8-4-2-6;/h1-4H,5H2;1H
InChIKey: ZDHKVKPZQKYREU-UHFFFAOYSA-N
SMILES: C1=NC=CC(CCl)=C1.[H]Cl

화학적 성질

YELLOW TO ORANGE FINE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information4-(Chloromethyl)-pyridinium chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (16.3%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 3
HS 번호: 29333999
risk_code: 34-4-22-36/37/38
hazard_code: C,Xi
safety_code: 26-36/37/39-45-36
포장분류: III
위험 등급: 8
F 고인화성물질: 3-10
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도It finds its application as a reagent for protection of carboxyl termini of peptides as 4-picolyl esters, providing a polar 'handle' which aids in separation and purification of the peptide. The group can be introduced in the presence of a base, e.g. tetramethylguanidine, is stable to acid-catalyzed removal of Cbz protecting group and can be removed by base, Na in liquid ammonia or catalytic hydrogenolysis. It is also applied in conjunction with Amberlyst15 resin in peptide synthesis. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.