15-Crown-5 (HCID 36336)

개요

15-crown-5 is a saturated organic heteromonocyclic parent that is cyclopentadecane in which the carbon atoms at positions 1, 4, 7, 10 and 13 have been replaced by oxygen atoms to give a crown ether. It is a saturated organic heteromonocyclic parent and a crown ether.

이름 및 식별자

우선 이름: 15-Crown-5
IUPAC: 1,4,7,10,13-pentaoxacyclopentadecane
영어명: 15-Crown-5
분자식: C10H20O5
분자량: 220.26

이름 및 동의어

15-Crown-533100-27-51,4,7,10,13-PENTAOXACYCLOPENTADECANEDTXSID70677467G6K9SB27YCHEBI:32401RefChem:78755DTXCID9038634251-379-615-Crown-5 ether15-Crown 5-EtherMFCD00005110

이름 더 보기

crown ether15-Crown-615-Crown-5 98%15-ether-5Crownethers15-CROWN-5,99%JACS-33100-27-5

AKOS005622525CS-W00745115C51, 4, 7, 10, 13-pentaoxacyclopentadecane15-Crown-5, Vetec(TM) reagent grade, 98%EN300-67436101,4,10,13-PentaoxacyclopentadecaneEYO

데이터베이스 식별자

CAS: 33100-27-5
PubChem CID: 36336
DTXSID: DTXSID7067746
ChEMBL: CHEMBL156289
ChEBI: CHEBI:32401
UNII: 7G6K9SB27Y
EC Number: 251-379-6
Nikkaji: J53.730F

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 46.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 86.2

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Organic Compounds

SpringerMaterials PropertiesChemical shift

LogP-0.48

Vapor Pressure0.00144 [mmHg]

Physical DescriptionClear colorless liquid; [Aldrich MSDS]

물리화학적 성질

녹는점: -20 °C · -20°C(lit.)
끓는 점: 93 · 93-96 °C/0.05 mmHg (lit.)
밀도: 1.113 g/mL · 1.113 g/mL at 20 °C (lit.)
증기압: 0.5 · 0.5-0.82Pa at 20-25℃
굴절률: 20 · n20/D 1.465(lit.)
인화점: 230 °F · >230 °F
저장 조건: room temp
용해도: 유기용매와 섞일 수 있음.
물리적 상태: 액체
색상: 무색투명~연황색
Specific Gravity: 1.109 · 1.109
수용성: 혼용 가능
BRN: 1618144 · 1618144
안정성: 안정적인. 산화제, 강산과 호환되지 않습니다. 물이나 습한 공기에 노출되지 않도록 하세요.
InChI: 1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
InChIKey: VFTFKUDGYRBSAL-UHFFFAOYSA-N
SMILES: O1CCOCCOCCOCCOCC1
LogP: -0.9 at · -0.9 at 20℃ and pH7.7
표면장력: 68.5 mN/m · 68.5mN/m at 1g/L and 20℃
NIST: 15 · 15-Crown-5(33100-27-5)
EPA: 1 · 1,4,7,10,13-Pentaoxacyclopentadecane (33100-27-5)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (98.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 176 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33251

Crown ether 15-crown-5: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

A mild skin and moderate eye irritant; Causes tremor, convulsions, and weight loss in dermal lethal-dose studies of rabbits; Causes tremor, convulsions, weight loss, tetany, other changes in lungs, and other liver changes in intraperitoneal lethal-dose studies of rats; [RTECS] An irritant; Harmful by ingestion; [Aldrich MSDS] See 18-Crown-6.

Peroxide Forming Chemical · 4건

15-Crown-5 ether

D*: Other compounds that may form peroxides

1 samples, >8 yrs, 1 ppm

Management of time-sensitive chemicals (JCHAS)

Hazard Classes and CategoriesAcute Tox. 4 (98.9%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: SB0200000
ridadr: 2810
독성: LD50 orl-rat: 1410 mg/kg DCTODJ 1,339,78
HS 번호: 29329995
risk_code: 22-36/38-36-20/22-36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 26-39-36
포장분류: III
위험 등급: 6.1(b)
F 고인화성물질: 10-21
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1,4,7,10,13-Pentaoxacyclopentadecane: ACTIVE

응용 분야 · 2건

용도15-Crown-5 is used as an efficient phase transfer catalyst and as a complexing agent. It is used to isolate oxonium ion (H7O3)+ salts especially from a solution of tetrchloroauric acid. It catalyzes the O-alkylation of the sodium salts of carboxylic acids in the penicillin and cephalosporin series, thereby facilitating esterification reaction without usage of acid. It is also used to facilitate the Williamson synthesis of ethers with hindered alcohols and sodium hydride. It is used with lithium aluminum hydride, for performing reduction reactions in hydrocarbon solvents. Further, it is involved in the Horner-Wadsworth-Emmons reaction to prepare stilbenes from aldehydes.

일반 설명15-Crown-5 is a crown ether generally used as a ligand in coordination chemistry because of its strong chelating property with certain alkali cations to form complexes. Some derivatives of 15-crown-5 are used as sensors and probes in different physical-chemical processes, phase-transfer reactions, and selective capture of ions for separation and transport.

상·하류 제품 정보

하류 제품

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

추가 설명

정의ChEBI: A saturated organic heteromonocyclic parent that is cyclopentadecane in which the carbon atoms at positions 1, 4, 7, 10 and 13 have been replaced by oxygen atoms to give a crown ether.