2-クロロオクタン

2-Chlorooctane

HCID 12347CAS 628-61-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCC(C)Cl
InChIKey: HKDCIIMOALDWHF-UHFFFAOYSA-N
分子式: C8H17Cl
平均分子量: 148.67 g/mol
単同位体質量: 148.10187822

名称と識別子

優先名称: 2-Chlorooctane
IUPAC: 2-chlorooctane
現地名: 2-クロロオクタン
英語名: 2-Chlorooctane
分子式: C8H17Cl
分子量: 148.67

名称と別名

2-CHLOROOCTANEOctane, 2-chloro-2-Octyl chloride1-Methylheptyl chlorideUNII-0H8W4Y2ETW0H8W4Y2ETWNSC 5407NSC-5407EINECS 211-046-8DTXSID708707322Octyl chlorideOctane, 2chloro

名称をさらに表示

塩化sec-オクチル2-クロロオクタンsec-オクチルクロリド1-メチルヘプチルクロリド2-chloro-octan2-octylchlorideoctane,2-chloro-SEC-OCTYL CHLORIDE2-Chlorooctane,99%,pract.

1Methylheptyl chlorideRefChem:86517(+-)-2-CHLOROOCTANEDTXCID80818428211-046-8HKDCIIMOALDWHF-UHFFFAOYSA-N628-61-52-chloro-octane

データベース識別子

CAS: 628-61-5
PubChem CID: 12347
DTXSID: DTXSID70870732
UNII: 0H8W4Y2ETW
EC Number: 211-046-8
Nikkaji: J96.521I

物性

構造計算による物性

XLogP: 4.2
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: 5
重原子数: 9
形式電荷: 0
複雑度: 52.5

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Vapor Pressure1.37 [mmHg]

Physical Description · 2 件

Liquid

Liquid; [Acros Organics MSDS]

物理化学的性質

融点: -41.9 °C · -41.9°C (estimate)
沸点: 171.9 °C · 171.9°C
比重(密度): 0.8658 · 0.8658
屈折率: 1.4273 · 1.4273
Henry's Law Constant: 2.7 · 2.7×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2005)
EPAの化学物質情報: 2 · Octane, 2-chloro- (628-61-5)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 1 件

Octane, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 2-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazards SummaryA skin and eye irritant; May cause CNS depression; [Acros Organics MSDS] See 1-Chlorooctane. See 1-Chloropentane.

Hazard Classes and CategoriesSkin Sens. 1 (100%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

tsca: TSCA listed

化学と産業

用途と製造

U.S. Production2023: 49,449 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Octane, 2-chloro-: ACTIVE

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