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2-Chloro-1,1,1,3,3,3-hexafluoropropane

HCID 9894
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
431-87-8
Standard SMILES
FC(F)(F)C(Cl)C(F)(F)F
InChIKey
BKWAVXQSZLEURV-UHFFFAOYSA-N
Molecular formula
C3HClF6
Average molar mass
186.48 g/mol
Monoisotopic mass
185.9670967

Names & identifiers

Preferred name
2-Chloro-1,1,1,3,3,3-hexafluoropropane
IUPAC
2-chloro-1,1,1,3,3,3-hexafluoropropane
English name
2-Chloro-1,1,1,3,3,3-hexafluoropropane
Molecular formula
C3HClF6
Molecular weight
186.48

Names & synonyms

2-Chloro-1,1,1,3,3,3-hexafluoropropane431-87-82-chloro-1,1,1,3,3,3-hexafluoro-propane1,1,1,3,3,3-Hexafluoro-2-chloropropaneHCFC-226daPROPANE, 2-CHLORO-1,1,1,3,3,3-HEXAFLUORO-SF29B7Q8MKMFCD01698452HCFC 226daMonochlorohexafluoropropaneEINECS 207-078-7BRN 1748839
Show more names
2-chloro-1,1,1,3,3,3-hexafluoro-propan2-Chloro-1,1,1,3,3,3-hexafluoropropane97%2-CHLORO-1,1,1,3,3,3-HEXAFLUOROPROPANE ISO 9001:2015 REACH
ChlorohexafluoropropaneUNII-SF29B7Q8MKSCHEMBL407692SCHEMBL407693SCHEMBL3269338DTXSID4075033AKOS006229009NS00043350

Database identifiers

CAS
431-87-8
PubChem CID
9894
DTXSID
DTXSID4075033
UNII
SF29B7Q8MK
EC Number
207-078-7
Nikkaji
J50.728H

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
97.1

Experimental & physicochemical properties

SolventsSolvents -> Chlorofluorocarbons
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Physical DescriptionCompressed gas; [Matrix Scientific MSDS]

Physicochemical properties

Melting point
-119 · -119,6°C
Boiling point
14 °C · 14°C
Density
1.5414 · 1.5414
refractive index
1.2173 · 1.2173 (estimate)
FDA UNII
29 B7Q8MK · SF29B7Q8MK
EPA Substance Registry System
-226 da · HCFC-226da (431-87-8)
Hazard Codes
Xi
Safety Statements
23 · 23-38
RIDADR
3163 · 3163
Hazard Note
Irritant

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Hazards SummaryCauses general anesthesia, diarrhea, and nausea or vomiting in inhalation lethal-concentration studies of dogs; [RTECS] A mucous membrane and upper respiratory tract irritant; [Matrix Scientific MSDS] See 1,1,1,2,3,3,3-Heptafluoropropane.

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLCLo (dog) = 400,000 ppm

Safety data

ridadr
3163
hazard_code
Xi
hazard_note
Irritant
safety_code
23-38
hazard_class
GAS

Chemistry & industry

Applications

Uses2-Chloro-1,1,1,3,3,3-hexafluoropropane is used as a refrigerant. It is also an ozone depleting compound.

Upstream & downstream products

Downstream products

Pentafluoroethane

Suppliers15 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
HazardClass
GAS
SHANDONG ZHI SHANG CHEMICAL CO.LTD
0531-68652808 18953170293 · [email protected]
上海井卉实业有限公司021-60125035 18019281355 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]