CAS 1070-78-6 1,1,1,3-Tetrachloropropane (HCID 14056)

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Basic information

CAS: 1070-78-6
Standard SMILES: ClCCC(Cl)(Cl)Cl
InChIKey: UTACNSITJSJFHA-UHFFFAOYSA-N
Molecular formula: C3H4Cl4
Average molar mass: 181.9 g/mol
Monoisotopic mass: 179.90671085

Overview

an intermediate in the production of chlorinated silicone fluids

Names & identifiers

Preferred name: 1,1,1,3-Tetrachloropropane
IUPAC: 1,1,1,3-tetrachloropropane
English name: 1,1,1,3-Tetrachloro-propane
Molecular formula: C3H4Cl4
Molecular weight: 181.88

Names & synonyms

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

Show more names

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

Database identifiers

CAS: 1070-78-6
PubChem CID: 14056
DTXSID: DTXSID8051546
UNII: DM99MQP76V
EC Number

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 45.4

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid

Physicochemical properties

Melting point: -35 °C · -35 °C
Boiling point: 159 °C · 159 °C
Density: 1.47 · 1.47
refractive index: 1.481 · 1.4810-1.4850
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: 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 DataBase Reference: 1070 · 1070-78-6(CAS DataBase Reference)
FDA UNII

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 2 items

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%)

Safety data

tsca: TSCA listed
rtecs: TZ7000000
ridadr: 1993
hs_code: 2903190090
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
hazard_class: 3
packing_group: III
Hazard statements: H226-H302-H315-H319
Precautionary statements: P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501

Chemistry & industry

Uses & manufacturing

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

Industry UsesIntermediate

General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing

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

Applications · 1 item

Uses1,1,1,3-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.