2-Chloro-1-methylpyridinium iodide (HCID 167069)

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 Å²
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

GHS 분류

GHS Classification · 4건

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: 8-21
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesUsed as a condensation reagent in organic synthesis; [Merck Index]

응용 분야 · 2건

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.