Perfluoro(methylcyclohexane) (HCID 9637)

Names & identifiers

Preferred name: Perfluoro(methylcyclohexane)
IUPAC: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane
English name: Perfluoro(methylcyclohexane)
Molecular formula: C7F14
Molecular weight: 350.05

Names & synonyms

Perfluoro(methylcyclohexane)355-02-2PERFLUOROMETHYLCYCLOHEXANEFlutec PP2TetradecafluoromethylcyclohexaneUndecafluoro(trifluoromethyl)cyclohexaneCyclohexane, undecafluoro(trifluoromethyl)-VJ9772YW63NSC-4779FLUTEC PC 2FIFLOW 75FIFLOW 80

Show more names

1-(Trifluoromethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexaneFLUTECR PP2Perfluor-(methylcyclohexan)PERFLUOROMETHYLCYCLOHEXANE 97+%Perfluoro(methylcyclohexane)95%Perfluoro(methylcyclohexane),94%Perfluoro(methylcyclohexane),90%

DTXSID5059874RefChem:171665DTXCID3039034206-573-51,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(trifluoromethyl)cyclohexaneNSC 4779MFCD00001468(Trifluoromethyl)undecafluorocyclohexane

Database identifiers

CAS: 355-02-2
PubChem CID: 9637
DTXSID: DTXSID5059874
UNII: VJ9772YW63
EC Number: 206-573-5
Nikkaji: J48.551I

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 14
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 411

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Cyclic Hydrocarbons

PFAS · 6 items

PFAS -> Other/unspecified

PFAS -> non-polymer

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> Cyclic PFAS

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: -37 °C · -37 °C
Boiling point: 76 °C · 76 °C(lit.)
Density: 1.8 g/mL · 1.80 g/mL at 20 °C
vapor pressure: 14 kPa · 14kPa at 25℃
refractive index: 17 · n17/D 1.285(lit.)
Flash point: 75 · 75-76°C
storage temp.: Refrigerator
solubility: Miscible with acetone and benzene.
form: Oil
color: Colourless
Specific Gravity: 1.787 · 1.787
Specific Heat Capacity: 1.01 J/ · Cp(liquid): 1.01 J/(g·K), at 25℃
BRN: 1915981 · 1915981
Dielectric constant: 1.86 · 1.8600000000000001
Cosmetics Ingredients Functions: BINDINGABSORBENTEMULSION STABILISINGSKIN CONDITIONINGANTICAKING
InChI: 1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
InChIKey: QIROQPWSJUXOJC-UHFFFAOYSA-N
SMILES: FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
LogP: 666 at · 666 at 25℃
CAS DataBase Reference: 355 · 355-02-2(CAS DataBase Reference)
FDA UNII: 9772 YW63 · VJ9772YW63
EPA Substance Registry System: 1 · Cyclohexane, 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)- (355-02-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
PPE: Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
RTECS: 7610000 · GV7610000
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 29038900 · 29038900
Storage Class: 10 · 10 - Combustible liquids
Toxicity: 825 ppm/14H · LCLo ihl-rat: 825 ppm/14H 11FYAN 3,90,63
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (23 of 23) of all reports.

Not Classified

Aggregated GHS information provided per 23 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 05-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24227

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Dodecafluorocyclohexane.

Hazard Classes and CategoriesNot Classified

Toxicology

Toxicity DataLCLo (rat) = 825 ppm/14hr

Safety data

PPE: Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: GV7610000
hs_code: 29038900
Toxicity: LCLo ihl-rat: 825 ppm/14H 11FYAN 3,90,63
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Uses & manufacturing

Uses · 3 items

Has been used as an anesthetic; [REPROTOX]

non-polymer PFAS -> Electronic Industry -> Testing of electronic devices and equipment

• Used for tracing and trapping [Ref: http://www.f2chemicals.com/full_range.html]

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

General Manufacturing InformationCyclohexane, 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)-: ACTIVE

Applications · 2 items

UsesPerfluoro(methylcyclohexane) is used as a solvent to determine fluorophilicity of hydrocarbon and fluorocarbon-functionalized nicotinic acid esters. It combines with chloroform and acts as an ingredient for "fluorous" biphase reactions. Furthermore, it finds application as a heat transfer agent, a dielectric fluid and a perfluorocarbon tracer. It acts as a good solvent for gases.

General DescriptionMixtures of chloroform and perfluoro(methylcyclohexane) can be used as solvents for "fluorous" biphase reactions. Gas-phase structure of perfluoro(methylcyclohexane) was investigated.

Upstream & downstream products

Upstream raw materials

Cyclohexane, 1-chloro-1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)-1-Cyclohexene-1-carbonitrile, 2,3,3,4,4,5,5,6,6-nonafluoro-Benzene, 1,2,3,4,5-pentafluoro-6-(fluoromethyl)-3-Fluorobenzotrifluoride Perfluoro-1,3-dimethylcyclohexane Tetrafluoro-1,3-bis(trifluoromethyl)benzene (Difluoromethyl)benzene Perfluorocyclohexanecarbonitrile Octafluorotoluene 1,3-Bis(trifluoromethyl)-benzene 1,3-Dinitrobenzene 4-Chlorobenzotrifluoride

Downstream products

Benzofuran, 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluorooctahydro-Perfluorocyclohexane

Suppliers50 total

Zhengzhou Anhuida Chemical Co., Ltd+86-15903659408 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

常州新氟化学有限公司13275212658 · [email protected]

Related reactions

5 records

New reaction record

HRID 43250As solventuspto-grants-2013_09

HRID 220134As solventuspto-grants-2012_06

HRID 1205504As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1890505As solventuspto-grants-2013_08

HRID 1911817As solventuspto-grants-2013_12

Linked notes

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Basic information