1-Iodo-3-methylbutane (HCID 10924)

이름 및 식별자

우선 이름: 1-Iodo-3-methylbutane
IUPAC: 1-iodo-3-methylbutane
현지명: 이소아밀요오다이드
영어명: 1-Iodo-3-methylbutane
분자식: C5H11I
분자량: 198.05

이름 및 동의어

1-Iodo-3-methylbutaneIsoamyl iodide541-28-6Isopentyl iodideBUTANE, 1-IODO-3-METHYL-3-Methylbutyliodide1-iodo-3-methyl-butaneiso-Amyliodide1-Jod-3-methylbutan1-Jod-3-methylbutan [Czech]4-Iodo-2-methylbutaneEINECS 208-773-8

이름 더 보기

이소아밀요오다이드요오드화이소아밀Iodo-isopentaneCH2ICH2CH(CH3)21-iodo-3-methyl-butan3-Methyl-1-iodobutane

UNII-E1E5DU187LMFCD00039414BRN 1730990E1E5DU187L4-01-00-00331 (Beilstein Handbook Reference)isoamyliodideIsoamyljodid1-IODO-3-METHYL BUTANE

데이터베이스 식별자

CAS: 541-28-6
PubChem CID: 10924
DTXSID: DTXSID8060246
UNII: E1E5DU187L
EC Number: 208-773-8
Nikkaji: J6.392D

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 25.1

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid; Turns brown on air and light exposure; [Merck Index] Colorless to pale yellow liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -85.6 °C · -85.6°C (estimate)
끓는 점: 149 °C · 149 °C(lit.)
밀도: 1.497 g/mL · 1.497 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.492(lit.)
인화점: 115 °F · 115 °F
저장 조건: Flammables area
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
수용성: 물에 불용성. 가장 일반적인 유기 용매에 용해됩니다.
Merck: 14 · 14,5120
BRN: 1730990 · 1730990
Dielectric constant: 5.6 · 5.5999999999999996
InChI: 1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
InChIKey: BUZZUHJODKQYTF-UHFFFAOYSA-N
SMILES: CC(C)CCI
NIST: 1 · Butane, 1-iodo-3-methyl-(541-28-6)
EPA: 1 · Butane, 1-iodo-3-methyl- (541-28-6)

화학적 성질

clear slightly yellow to pink liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationIsopentyl iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See sec-Butyl iodide.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: EK4412000
ridadr: UN 1993 3/PG 3
HS 번호: 29033080
risk_code: 10-22
hazard_code: Xn,Xi
safety_code: 16
포장분류: III
위험 등급: 3
F 고인화성물질: 1-8-9
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationButane, 1-iodo-3-methyl-: ACTIVE

응용 분야

용도1-Iodo-3-methylbutane can be used for organic synthesis or used as solvents.

제조 방법 · 1건

Synthesis of 1-Iodo-3-methylbutane: Bromo-3-methylbutane (30.2 g, 0.20 mol) was added dropwise to a mixture of NaI (44.97g, 0.30 mol) and acetone (500 mL). The mixture was refluxed overnight. The mixture was filtrated and the filter cake was washed with (2 x 50 mL) acetone. The acetone was evaporated under reduced pressure. 1-Iodo-3-methylbutane was distilled under vacuum to give 13.8g (35 %) (b.p. 25 - 35°C, 15 mmHg).