Isobutyl iodide (HCID 10556)

개요

Iodomethylpropane appears as a colorless liquid mixture of isomers that discolors in air. Denser than water. Vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals.

이름 및 식별자

우선 이름: Isobutyl iodide
IUPAC: 1-iodo-2-methylpropane
현지명: 1-이오도-2-메틸프로판
영어명: Isobutyl iodide
분자식: C4H9I
분자량: 184.02

이름 및 동의어

Isobutyl iodide1-IODO-2-METHYLPROPANE513-38-2Propane, 1-iodo-2-methyl-IsobutyljodidPrimary isobutyl iodideIsobutyljodid [Czech]1-Jod-2-methylpropan1-Jod-2-methylpropan [Czech]NSC 8421EINECS 208-160-5BRN 1730927

이름 더 보기

1-이오도-2-메틸프로판Isobutyl iodineISO-BUTANEIODIDEIodide isobutane1-Iodo-iso-butaneiodomethylpropanes1-IODOMETHYLPROPANE

UNII-82IJ6B9708iso-C4H9INSC-842182IJ6B9708ISOBUTYL IODIDE [MI]DTXSID90601544-01-00-00299 (Beilstein Handbook Reference)iodomethylpropane

데이터베이스 식별자

CAS: 513-38-2
PubChem CID: 10556
DTXSID: DTXSID9060154
UNII: 82IJ6B9708
EC Number: 208-160-5
Nikkaji: J2.620D

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: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 17.6

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

Physical DescriptionIodomethylpropane appears as a colorless liquid mixture of isomers that discolors in air. Denser than water. Vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals.

물리화학적 성질

녹는점: -93 °C · -93 °C
끓는 점: 120 · 120-121 °C(lit.)
밀도: 1.599 g/mL · 1.599 g/mL at 25 °C(lit.)
증기 밀도: 6 · 6 (vs air)
증기압: 20 mm · 20 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.496(lit.)
인화점: 55 °F · 55 °F
저장 조건: Flammables area
용해도: 알코올: 혼화성(lit.)
물리적 상태: 액체
색상: 투명한 무색~연한 오렌지색
수용성: 불용성
비열: 0.88 J/ · Cp(liquid): 0.88 J/(g·K), at 25℃
Merck: 14 · 14,5144
BRN: 1730927 · 1730927
Dielectric constant: 5.8 · 5.8(20℃)
InChI: 1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey: BTUGGGLMQBJCBN-UHFFFAOYSA-N
SMILES: CC(C)CI
NIST: 1 · Propane, 1-iodo-2-methyl-(513-38-2)
EPA: 1 · Propane, 1-iodo-2-methyl- (513-38-2)

화학적 성질

clear colorless to light orange liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

DOT LabelFlammable Liquid

Fire HazardsExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Health HazardsExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Reactive GroupHalogenated Organic Compounds

Reactivity AlertsHighly Flammable

Reactivity ProfileIODOMETHYLPROPANE is incompatible with strong oxidizing and reducing agents. Also incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

안전 및 보호

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

First AidExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Isolation and EvacuationExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TZ4250000
ridadr: UN 2391 3/PG 2
HS 번호: 29033080
risk_code: 11-36/37/38-20-53
hazard_code: F,Xi,Xn
safety_code: 16-26-36-9-33
포장분류: II
위험 등급: 3
F 고인화성물질: 8-10-23
Hazard Classifications: Acute Tox. 3 InhalationFlam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropane, 1-iodo-2-methyl-: ACTIVE

응용 분야

용도Isobutyl iodide is a useful synthetic building block, such as its use in the palladium-catalyzed alkylation of arylpyridines with alkyl iodides.

일반 설명A colorless liquid mixture of isomers that discolors in air. Denser than water. Flash point 30°F. Vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals.