4-Formyl-1-methylpyridinium benzenesulphonate
기본 정보
- CAS
82228-89-5- 표준 SMILES
C[n+]1ccc(C=O)cc1.O=S(=O)([O-])c1ccccc1- InChIKey
HSVLGIFAXFDLMU-UHFFFAOYSA-M- 분자식
- C13H13NO4S
- 평균 분자량
- 279.31 g/mol
- 단동위원소 질량
- 279.05652907
이름 및 식별자
- 우선 이름
- 4-Formyl-1-methylpyridinium benzenesulphonate
- IUPAC
- benzenesulfonate;1-methylpyridin-1-ium-4-carbaldehyde
- 영어명
- 4-FORMYL-1-METHYL-PYRIDINIUM BENZENESULFONATE
- 분자식
- C13H13NO4S
- 분자량
- 279.31
이름 및 동의어
4-formyl-1-methylpyridinium benzenesulphonateRefChem:523500676-836-082228-89-54-Formyl-1-methylpyridin-1-ium benzenesulfonate4-Formyl-1-methylpyridinium benzenesulfonate4-Formyl-1-methyl-pyridinium benzenesulfonatePyridinium, 4-formyl-1-methyl-, benzenesulfonatebenzenesulfonate;1-methylpyridin-1-ium-4-carbaldehydeSCHEMBL1323372DTXSID40431258AS-37777
이름 더 보기
4-Formyl-1-methylpyridinium benzenesulfonate >=95.0%4-FORMYL-1-METHYL-PY1-methylpyridin-1-ium-4-carbaldehydeN-Methyl-4-formylpyridinium benzenesulfonate4-Formyl-1-methylpyridiniumbenzenesulfonatehydrateN-Methylpyridinium-4-carboxaldehyde benzenesulfonate4-Formyl-1-methylpyridinium benzenesulphonate hydrate
CS-00209614-formyl-1-methylpyridinium benzenesulfo nateMFCD00043164HSVLGIFAXFDLMU-UHFFFAOYSA-MAKOS022172386SY1011654-formyl-methylpyridinium benzene sulfonate4-Formyl-1-methylpyridin-1-iumbenzenesulfo
데이터베이스 식별자
- CAS
82228-89-5- PubChem CID
- 9817127
- DTXSID
DTXSID40431258- EC Number
- 676-836-0
물성
구조 계산 물성
- 극성 표면적
- 86.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 265
물리화학적 성질
- 녹는점
- 95 °C · ~95 °C
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 고체
- 색상
- 오프 화이트
- 수용성
- 물에 거의 녹지 않습니다(25°C에서 0.27g/L).
- BRN
- 5695963 · 5695963
- InChI
- 1S/C7H8NO.C6H6O3S/c1-8-4-2-7(6-9)3-5-8;7-10(8,9)6-4-2-1-3-5-6/h2-6H,1H3;1-5H,(H,7,8,9)/q+1;/p-1
- InChIKey
- HSVLGIFAXFDLMU-UHFFFAOYSA-M
- SMILES
- [H]C(=O)c1cc[n+](C)cc1.[O-]S(=O)(=O)c2ccccc2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
안전 데이터
- wgk
- 3
- HS 번호
- 29333990
- risk_code
- 36/37/38
- safety_code
- 22-24/25-37-26
- F 고인화성물질
- 3-10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도N-Methylpyridinium-4-carboxaldehyde benzenesulfonate hydrate is a useful reagent for the chemical transformation of primary amines to aldehydes and ketones under extremely mild conditions.
일반 설명4-Formyl-1-methylpyridinium benzenesulfonate is a pyridinium salt widely used for the conversion of primary amines to the carbonyl compounds like aldehydes and ketones. The reaction conditions are mild, suitable for compounds with sensitive functional groups thereby providing an efficient alternative for such transformations.
관련 반응
2건
화합물 노트
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