1,4,7,10-Tetraoxacyclododecane (HCID 9269)

개요

12-crown-4 is a crown ether that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 have been replaced by oxygen atoms. It is a saturated organic heteromonocyclic parent and a crown ether.

이름 및 식별자

우선 이름: 1,4,7,10-Tetraoxacyclododecane
IUPAC: 1,4,7,10-tetraoxacyclododecane
영어명: 12-Crown-4
분자식: C8H16O4
분자량: 176.21

이름 및 동의어

12-Crown-4294-93-91,4,7,10-TETRAOXACYCLODODECANEEOCTEthylene oxide cyclic tetramerK6069P2C2ACHEBI:32399DTXSID6059780RefChem:73006DTXCID2037978206-036-512-Crown-4 ether

이름 더 보기

Crown12-C-412C412 C 412-Crown-4,97%LITHIUM IONOPHORE V

12-crown-4-ether12-Crown 4-EtherMFCD00005103CCRIS 157SCHEMBL2367251,4,7,10tetraoxa-Cyclododecane1,4,7,10-tetraoxacyclo-dodecaneLS-13523

데이터베이스 식별자

CAS: 294-93-9
PubChem CID: 9269
DTXSID: DTXSID6059780
ChEMBL: CHEMBL4566196
ChEBI: CHEBI:32399
UNII: K6069P2C2A
EC Number: 206-036-5
Nikkaji: J66.351D

물성

구조 계산 물성

XLogP: 0
극성 표면적: 36.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 65.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

LogP-0.04

물리화학적 성질

녹는점: 16 °C · 16 °C (lit.)
끓는 점: 61 · 61-70 °C/0.5 mmHg (lit.)
밀도: 1.089 g/mL · 1.089 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.463(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 녹은 후에 액체
Specific Gravity: 1.115 · 1.115 (20℃)
색상: 무색투명~미황색
수용성: 혼용 가능
BRN: 1363064 · 1363064
InChI: 1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
InChIKey: XQQZRZQVBFHBHL-UHFFFAOYSA-N
SMILES: C1COCCOCCOCCO1
NIST: 12 · 12-Crown-4(294-93-9)
EPA: 1 · 1,4,7,10-Tetraoxacyclododecane (294-93-9)

화학적 성질

clear colorless to slightly yellow liquid after

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264+P265, P271, P280, P284, P304+P340, P305+P351+P338, P316, P320, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 1,4,7,10-Tetraoxacyclododecane

1,4,7,10-Tetraoxacyclododecane: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Irrit. 2 (11.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: XF0550000
ridadr: UN 2810
독성: LD50 oral in rat: 2830mg/kg
HS 번호: 29329995
risk_code: 26-36/37/38-20/21/22
hazard_code: T+,Xn,Xi
safety_code: 28-36/37-45-36-26
포장분류: III
위험 등급: 6.1
F 고인화성물질: 3-9-23
Hazard Classifications: Acute Tox. 1 Inhalation
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing Information1,4,7,10-Tetraoxacyclododecane: ACTIVE

응용 분야 · 2건

용도12-Crown-4 can be used as: A promoter in the synthesis of poly(diethylsiloxane) (PDES) from monomer hexaethylcyclotrisiloxane using NaOH as a catalyst via anionic ring-opening polymerization. As an additive in the preparation of triarylmethane derivatives by palladium-catalyzed cross coupling reaction of aryl bromides with diarylmethane derivatives. A phase transfer catalyst in organic synthesis.

일반 설명12-Crown-4 is a crown ether generally used as a ligand in coordination chemistry. It is also known as lithium ionophore because of its strong chelating property specific to lithium cation.