CAS 6940-76-7 1-Chloro-3-iodopropane (HCID 81363)

이름 및 식별자

우선 이름: 1-Chloro-3-iodopropane
IUPAC: 1-chloro-3-iodopropane
현지명: 1-클로로-3-요오도프로판
영어명: 1-Chloro-3-iodopropane
분자식: C3H6ClI
분자량: 204.44

이름 및 동의어

1-Chloro-3-iodopropanePropane, 1-chloro-3-iodo-Trimethylene chloroiodideNSC 60189DTXSID3064512EINECS 230-088-83Chloropropyl iodidePropane, 1chloro3iodoRefChem:75391DTXCID1046504230-088-8InChI=1/C3H6ClI/c4-2-1-3-5/h1-3H

이름 더 보기

1-클로로-3-요오도프로판TRIMETHYLENECHLOCHLORO-3-IODOPROPANE1-chloro-3-iodo-propan1-ChIoro-3-Iodopropane1-Chloro-3-iodoproprane1 -Chloro-3-lodopropane1-chlorine-3-iodopropane

SFOYQZYQTQDRIY-UHFFFAOYSA-N6940-76-73-Chloropropyl iodideMFCD000010961-iodo-3-chloropropane1-chloro-3-iodo-propane3-chloro-1-iodopropane3-iodo-1-chloropropane

데이터베이스 식별자

CAS: 6940-76-7
PubChem CID: 81363
DTXSID: DTXSID3064512
UNII: 8XQ6FS6NFG
EC Number: 230-088-8
Nikkaji: J208.246B

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 5
형식 전하: 0
복잡도: 16.4

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesOptical coefficient

Vapor Pressure2.0 [mmHg]

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

끓는 점: 170 · 170-172 °C (lit.)
밀도: 1.904 g/mL · 1.904 g/mL at 25 °C (lit.)
증기 밀도: 6.8 · 6.8 (vs air)
증기압: 2 mm · 2 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.548(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 혼합하기가 어렵습니다.
물리적 상태: 액체
Specific Gravity: 1.904 · 1.904
색상: 투명하고 밝은 노란색 또는 밝은 분홍색에서 주황색까지
BRN: 1731115 · 1731115
InChI: 1S/C3H6ClI/c4-2-1-3-5/h1-3H2
InChIKey: SFOYQZYQTQDRIY-UHFFFAOYSA-N
SMILES: ClCCCI
EPA: 1 · Propane, 1-chloro-3-iodo- (6940-76-7)

화학적 성질

CLEAR SLIGHTLY YELLOWISH TO LIGHT PINK LIQUID

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1,3-Dichloropropane.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29037990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 8-10
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropane, 1-chloro-3-iodo-: ACTIVE

응용 분야 · 2건

용도1-Chloro-3-iodopropane has been used in the synthesis of N-[4-[5-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-2-(2,2,2-trifluoroacetyl)pentyl]benzoyl]-L-glutamic acid, an inhibitor of glycinamide ribonucleotide transformylase (GAR Tfase) and aminoimidazole carboxamide ribonucleotide transformylase (AICAR Tfase), interesting proton sponge type molecule quino[7,8-h]quinoline.

일반 설명1-Chloro-3-iodopropane undergoes asymmetric α-alkylation with N-sulfinyl imidates to yield 2-substituted N-tert-butanesulfinyl-5-chloropentanimidates. Electroreduction of 1-chloro-3-iodopropane at glassy carbon electrode in dimethylformamide containing tetra-n-butylammonium perchlorate has been investigated by cyclic voltammetry. It also participates in conjugate addition of alkyl iodides to α,β-unsaturated nitriles in water.