4-(Chloromethyl)pyridinium chloride
기본 정보
- CAS
1822-51-1- 표준 SMILES
Cl.ClCc1ccncc1- InChIKey
ZDHKVKPZQKYREU-UHFFFAOYSA-N- 분자식
- C6H7Cl2N
- 평균 분자량
- 164.03 g/mol
- 단동위원소 질량
- 162.9955546
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-Chloromethylpyridine chlorhydrate
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 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
- 2933399090
- 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
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.
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