1,1,1,3-テトラクロロプロパン

1,1,1,3-Tetrachloropropane

HCID 14056

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基本情報

CAS: 1070-78-6
標準SMILES: ClCCC(Cl)(Cl)Cl
InChIKey: UTACNSITJSJFHA-UHFFFAOYSA-N
分子式: C3H4Cl4
平均分子量: 181.9 g/mol
単同位体質量: 179.90671085

概要

an intermediate in the production of chlorinated silicone fluids

名称と識別子

優先名称: 1,1,1,3-Tetrachloropropane
IUPAC: 1,1,1,3-tetrachloropropane
現地名: 1,1,1,3-テトラクロロプロパン
英語名: 1,1,1,3-Tetrachloro-propane
分子式: C3H4Cl4
分子量: 181.88

名称と別名

1,1,1,3-Tetrachloropropane1070-78-6PROPANE, 1,1,1,3-TETRACHLORO-DM99MQP76VDTXSID8051546RefChem:70837DTXCID90300981,1,1,3-TCP213-981-71,1,1,3-Tetrachloro-propaneMFCD00054655BRN 1734994

名称をさらに表示

1,1,1,3-テトラクロロプロパン1,1,1,3-テトラクロロプロパン (HC-250FB)テトラクロロプロパンHCC-250fbTetrachloropropane1,1,1,3-TetrachlorpropanTetrachloropropane/250fb1,1,1,3-tetrachloro-propanpropane,1,1,1,3-tetrachloro-1,1,1,3-Tetrachloropropane (HC-250fb) 98%1,1,1,3-Tetrachloro-propaneTetrachlorpropan

EINECS 213-981-71,1,1,3-Tetrachloropropane (HC-250fb)UNII-DM99MQP76V4-01-00-00201 (Beilstein Handbook Reference)SCHEMBL432042SCHEMBL5398672SCHEMBL9631271BAA07078

データベース識別子

CAS: 1070-78-6
PubChem CID: 14056
DTXSID: DTXSID8051546
UNII: DM99MQP76V
EC Number: 213-981-7
Nikkaji: J35.469D

物性

構造計算による物性

XLogP: 3
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: 1
重原子数: 7
形式電荷: 0
複雑度: 45.4

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid

物理化学的性質

融点: -35 °C · -35 °C
沸点: 159 °C · 159 °C
比重(密度): 1.47 · 1.47
屈折率: 1.481 · 1.4810-1.4850
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Almost colorless
InChI: InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2
InChIKey: UTACNSITJSJFHA-UHFFFAOYSA-N
SMILES: C(Cl)(Cl)(Cl)CCCl
CAS データベース: 1070 · 1070-78-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · Propane, 1,1,1,3-tetrachloro-(1070-78-6)
EPAの化学物質情報: 1 · Propane, 1,1,1,3-tetrachloro- (1070-78-6)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 4 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 Information · 2 件

Chemical: Propane, 1,1,1,3-tetrachloro-

Propane, 1,1,1,3-tetrachloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propane, 1,1,1,3-tetrachloro- 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)

Hazard Classes and CategoriesFlam. Liq. 3 (50%)

安全データ

tsca: TSCA listed
rtecs: TZ7000000
ridadr: 1993
hs_code: 2903190090
化審法: (2)-83
消防法: 危-4-2-III
hazard_code: Xi
hazard_class: 3
packing_group: III

化学と産業

用途と製造

U.S. Production2023: 50,000,000 - <100,000,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Propane, 1,1,1,3-tetrachloro-: ACTIVE

応用分野 · 1 件

使用1,1,1,3-Tetrachloropropane (TCP) is a polychlorinated alkane compound that can be used to prepare a new generation of refrigerant hydrofluoroolefins (HFOs). For the gas-phase fluorination of TCP with hydrogen fluoride (HF), iron supported on hollow nano-MgF2 particles (Fe/MgF2) outperforms the chromium system as a catalyst and has the potential to replace the chromium system.