1,3-Diiodopropane (HCID 12314)

이름 및 식별자

우선 이름: 1,3-Diiodopropane
IUPAC: 1,3-diiodopropane
영어명: 1,3-Diiodopropane
분자식: C3H6I2
분자량: 295.89

이름 및 동의어

1,3-DiiodopropanePROPANE, 1,3-DIIODO-K9QFA94XGYNSC-35647DTXSID7060837Propane, 1,3diiodoRefChem:72687DTXCID3043495210-993-4AAAXMNYUNVCMCJ-UHFFFAOYSA-NInChI=1/C3H6I2/c4-2-1-3-5/h1-3H627-31-6

이름 더 보기

1,3-Diiodopro1,3-Dijodpropan1,3-DIIODOPROPANα,ω-DiiodopropaneTrimethylendijodid1,3-Diiode-propanePropane,1,3-diiodo-TRIMETHYLENE IODIDE

Trimethylene diiodideMFCD00001097NSC 35647EINECS 210-993-4BRN 1731117AI3-52340UNII-K9QFA94XGY4-01-00-00228 (Beilstein Handbook Reference)

데이터베이스 식별자

CAS: 627-31-6
PubChem CID: 12314
DTXSID: DTXSID7060837
UNII: K9QFA94XGY
EC Number: 210-993-4
Nikkaji: J6.866G

물성

구조 계산 물성

XLogP: 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: 12.4

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesSchoenflies notation

LogP3.02

Vapor Pressure0.26 [mmHg]

Physical DescriptionColorless to light orange liquid; Not miscible or difficult to mix in water; [MSDSonline]

물리화학적 성질

녹는점: -20 °C · -20°C
끓는 점: 111 · 111-113 °C/31 mmHg (lit.)
밀도: 2.576 g/mL · 2.576 g/mL at 25 °C (lit.)
증기압: 3.42 hPa · 3.42hPa at 20℃
굴절률: 20 · n20/D 1.642(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 약간 노란색에서 분홍색으로 맑아짐
수용성: 물에 불용성.
BRN: 1731117 · 1731117
안정성: 안정적이지만 빛에 민감하므로 어두운 곳에 보관하세요. 강염기, 강산화제와 호환되지 않습니다.
InChI: 1S/C3H6I2/c4-2-1-3-5/h1-3H2
InChIKey: AAAXMNYUNVCMCJ-UHFFFAOYSA-N
SMILES: ICCCI
LogP: 3.6 at · 3.6 at 25℃
표면장력: 46.51 mN/m · 46.51mN/m at 23°
NIST: 1 · Propane, 1,3-diiodo-(627-31-6)
EPA: 1 · Propane, 1,3-diiodo- (627-31-6)

화학적 성질

light brown-yellow liquid, darkening with exposure to light

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (94.3%): 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 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 29-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31817

Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (94.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TY1080000
ridadr: 2810
HS 번호: 29033080
risk_code: 36/37/38
hazard_code: Xi,C
safety_code: 26-36
포장분류: III
위험 등급: 6.1(b)
F 고인화성물질: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropane, 1,3-diiodo-: ACTIVE

응용 분야

용도1,3-Diiodopropane is used as a reagent for organic synthesis. 1, 3-Diiodopropane is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

일반 설명The adsorption of 1,3-diiodopropane on a molybdenum-aluminum alloy thin film formed on dehydroxylated alumina has been studied.