2-Chloro-1-methylpyridinium iodide
기본 정보
- CAS
14338-32-0- 표준 SMILES
C[n+]1ccccc1Cl.[I-]- InChIKey
ABFPKTQEQNICFT-UHFFFAOYSA-M- 분자식
- C6H7ClIN
- 평균 분자량
- 255.48 g/mol
- 단동위원소 질량
- 254.93117
이름 및 식별자
- 우선 이름
- 2-Chloro-1-methylpyridinium iodide
- IUPAC
- 2-chloro-1-methylpyridin-1-ium iodide
- 영어명
- 2-Chloro-1-methylpyridinium iodide
- 분자식
- C6H7ClIN
- 분자량
- 255.48
이름 및 동의어
2-Chloro-1-methylpyridinium iodide14338-32-0Mukaiyama ReagentN-methyl-2-chloropyridinium iodidePyridinium, 2-chloro-1-methyl-, iodide1-methyl-2-chloropyridinium iodide2-Chloro-N-methylpyridinium iodide2-chloropyridine methiodideUNII-RLQ88NYZ68EINECS 238-288-7RLQ88NYZ68NSC-200739
이름 더 보기
CMPI2-chloro-1-Methylpyridin-1-iuM iodide2-Chloro-1-methylpyridine iodide2-Chloro-1-methylpyridinium iodide,97%2-CHLORO-1-METHYLPYRIDINIUM IODIDE FOR S2-Chloro-1-methylpyrVonoprazan Impurity 139Epinastine Impurity 26 Iodide
2-Chloro-1-methylpyridinium iodide (1:1)MUKAIYAMA REAGENT [MI]DTXSID6022260NSC 200739RefChem:861302Chloropyridine methiodide1Methyl2chloropyridinium iodideDTXCID402260
데이터베이스 식별자
- CAS
14338-32-0- PubChem CID
- 167069
- DTXSID
DTXSID6022260- UNII
- RLQ88NYZ68
- EC Number
- 238-288-7
물성
구조 계산 물성
- 극성 표면적
- 3.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 74.9
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Pyridines
Physical DescriptionNearly colorless or pale yellow solid; [Merck Index] Yellow hygroscopic powder; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 200 °C · 200 °C (dec.) (lit.)
- 밀도
- 1.7949 · 1.7949 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- 결정질 분말 및/또는 덩어리
- 색상
- 노란색
- 수용성
- 녹는
- Merck
- 14 · 14,6301
- BRN
- 3572320 · 3572320
- InChI
- InChI=1S/C6H7ClN.HI/c1-8-5-3-2-4-6(8)7;/h2-5H,1H3;1H/q+1;/p-1
- InChIKey
- ABFPKTQEQNICFT-UHFFFAOYSA-M
- SMILES
- C1(Cl)C=CC=C[N+]=1C.[I-]
- EPA
- 2 · 2-Chloro-1-methylpyridinium iodide (14338-32-0)
화학적 성질
yellow crystalline solid
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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information2-Chloro-1-methylpyridinium iodide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Acros Organics MSDS] See 3-Chloropyridine. See Iodine for the TLV of Iodides.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 및 보호
Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor, (iodides)
안전 데이터
- wgk
- 3
- ridadr
- 1759
- HS 번호
- 29333999
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-24/25-36
- 포장분류
- III
- 위험 등급
- 8
- F 고인화성물질
화학 및 산업
용도 및 제조
UsesUsed as a condensation reagent in organic synthesis; [Merck Index]
응용 분야
용도2-Chloro-1-methylpyridinium iodide is a reagent in a wide variety of dehydrative coupling reactions. It is also used to form carboxylate esters from acids and alcohols, carboxamides from acids and amines, lactones from -hydroxy acids and carbodiimides from N,N-disubstituted thioureas.
일반 설명2-Chloro-1-methylpyridinium iodide (Mukaiyama reagent), is a commonly used reagent in organic synthesis for the activation of the hydroxy group of alcohols and carboxylic acids. It is used to synthesize derivatives of esters, lactones, amides, lactams, and ketenes from the corresponding carboxylic acids. It is also used as an efficient coupling reagent in the synthesis of peptides because of its low toxicity, simple reaction conditions, and also less expensive than EDC.
관련 반응
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