2,5-ジクロロ-2,5-ジメチルヘキサン

Hexane, 2,5-dichloro-2,5-dimethyl-

HCID 80360CAS 6223-78-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(Cl)CCC(C)(C)Cl
InChIKey: HSTAGCWQAIXJQM-UHFFFAOYSA-N
分子式: C8H16Cl2
平均分子量: 183.12 g/mol
単同位体質量: 182.06290587

名称と識別子

優先名称: Hexane, 2,5-dichloro-2,5-dimethyl-
IUPAC: 2,5-dichloro-2,5-dimethylhexane
現地名: 2,5-ジクロロ-2,5-ジメチルヘキサン
英語名: 2,5-Dichloro-2,5-dimethylhexane
分子式: C8H16Cl2
分子量: 183.12

名称と別名

2,5-Dichloro-2,5-dimethylhexane6223-78-5DichlorodimethylhexaneHexane, 2,5-dichloro-2,5-dimethyl-NSC 408418EINECS 228-310-3AI3-23397DTXSID8064145RefChem:146118DTXCID3043283228-310-32,5-dichloro-2,5-dimethyl-hexane

名称をさらに表示

2,5-ジメチル-2,5-ジクロロヘキサン2,5-ジクロロ-2,5-ジメチルヘキサンDCAD2,5-dichloro-2,5-dimethyl-hexan5-DIMETHYLHEXANE2,5-Dichlor-2,5-dimethylhexan6223-78-5 2,5-DICHLORO-2,5-DIMETHYLHEXANE C8H16Cl2

MFCD00126854C8H16Cl22,5-Dichloro-2,5-dimethylhexane-13C41391052-11-12,5-Dimethyl-2,5-dichlorohexane2,5-Dimethyl-2,5-dichlorohexane; NSC 408418NSC4084182,5-dichloro-dimethylhexane

データベース識別子

CAS: 6223-78-5
PubChem CID: 80360
DTXSID: DTXSID8064145
EC Number: 228-310-3
Nikkaji: J191.517G

物性

構造計算による物性

XLogP: 3.4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 91.8

実験および物理化学的性質

SpringerMaterials PropertiesSurface tension

物理化学的性質

融点: 63 · 63-64°C
沸点: 221.51 °C · 221.51°C (estimate)
比重(密度): 1.0333 · 1.0333 (estimate)
屈折率: 1.4345 · 1.4345 (estimate)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: クロロホルム（少量）、ジクロロメタン、エーテル、酢酸エチル、メタノール
外見: 個体
色: ホワイト～ペールベージュ
InChI: InChI=1S/C8H16Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3
InChIKey: HSTAGCWQAIXJQM-UHFFFAOYSA-N
SMILES: CC(Cl)(C)CCC(Cl)(C)C
EPAの化学物質情報: 2 · Hexane, 2,5-dichloro-2,5-dimethyl- (6223-78-5)

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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

危険有害性情報

Regulatory InformationChemical: Hexane, 2,5-dichloro-2,5-dimethyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

安全データ

tsca: TSCA listed
hs_code: 2903190090
risk_code: 36/37/38
safety_code: 26-36/37/39

化学と産業

用途と製造

General Manufacturing InformationHexane, 2,5-dichloro-2,5-dimethyl-: INACTIVE

応用分野

用途有機合成原料。

使用2,5-Dichloro-2,5-dimethylhexane is a useful reagent for the preparation of substituted bis-2-indenyl metallocene compounds as catalysts for olefin polymerization.