1-Chloro-4-iodobutane

HCID 82527CAS 10297-05-9

기본 정보

표준 SMILES: ClCCCCI
InChIKey: JXOSPTBRSOYXGC-UHFFFAOYSA-N
분자식: C4H8ClI
평균 분자량: 218.46 g/mol
단동위원소 질량: 217.93593

이름 및 식별자

우선 이름: 1-Chloro-4-iodobutane
IUPAC: 1-chloro-4-iodobutane
영어명: 1-Chloro-4-iodobutane
분자식: C4H8ClI
분자량: 218.46

이름 및 동의어

1-Chloro-4-iodobutaneButane, 1-chloro-4-iodo-EINECS 233-669-4DTXSID9065029RefChem:75420DTXCID4032748233-669-4JXOSPTBRSOYXGC-UHFFFAOYSA-N10297-05-9Tetramethylene chloroiodide4-chlorobutyl iodide1-Iodo-4-chlorobutane

이름 더 보기

1-chloro-4-iodo-butan4-Iodobutyl chloride, 4-Chlorobutyl iodide1-Chloro-4-iodobutane (stabilized with Copper chip)1-Chloro-4-iodobutane (stabilized with Copper chip)>

C4H8ClIMFCD000394154-chloro-1-iodobutane1-Chloro-4-iodo-butane1-Chloro-4-iodobutane; 1-Iodo-4-chlorobutane; 4-Chloro-1-iodobutane;4-Iodobutyl Chloride1-chloro4-iodobutane4-iodo-1-chlorobutane

데이터베이스 식별자

CAS: 10297-05-9
PubChem CID: 82527
DTXSID: DTXSID9065029
ChEBI: CHEBI:189107
UNII: 977ZE83TAE
EC Number: 233-669-4
Nikkaji: J236.752A

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 6
형식 전하: 0
복잡도: 23

물리화학적 성질

녹는점: 93 °C · 93 °C
끓는 점: 88 · 88-89 °C/19 mmHg (lit.)
밀도: 1.785 g/mL · 1.785 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.54(lit.)
인화점: 200 °F · 200 °F
저장 조건: 2 · 2-8°C(protect from light)
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 기름
색상: 투명 무색
Specific Gravity: 1.785 · 1.785
BRN: 1361365 · 1361365
InChI: 1S/C4H8ClI/c5-3-1-2-4-6/h1-4H2
InChIKey: JXOSPTBRSOYXGC-UHFFFAOYSA-N
SMILES: ClCCCCI
EPA: 1 · Butane, 1-chloro-4-iodo- (10297-05-9)

화학적 성질

clear yellow to brown liquid

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29031980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도1-Chloro-4-iodobutane acts as a reagent in the synthesis of alkyl chromones/quinolones via cyclization/alkylation of enaminones and as an intermediate in many pharmaceutical synthesis.

일반 설명1-Chloro-4-iodobutane is a halogenated hydrocarbon. It is an α,ω-dihaloalkane and undergoes electrogenerated Nickel(I) salen (N,N′-bis(salicylidene)ethylenediamine) catalyzed reduction to afford 1,8-dichlorooctane. Electrochemical reduction of 1-chloro-4-iodobutane at glassy carbon cathode has been investigated by cyclic voltammetry and controlled-potential electrolysis.