CAS 677-69-0 Perfluoroisopropyl iodide (HCID 33978)

Names & identifiers

Preferred name: Perfluoroisopropyl iodide
IUPAC: 1,1,1,2,3,3,3-heptafluoro-2-iodopropane
English name: Heptafluoroisopropyl iodide
Molecular formula: C3F7I
Molecular weight: 295.93

Names & synonyms

Heptafluoroisopropyl iodide677-69-0Perfluoroisopropyl iodide1,1,1,2,3,3,3-Heptafluoro-2-iodopropanePropane, 1,1,1,2,3,3,3-heptafluoro-2-iodo-DGX6HT3JF7EINECS 211-643-32lodoperfluoropropaneHeptafluoro2iodopropaneRefChem:8602681,1,1,2,3,3,3Heptafluoro2iodopropanePropane, 1,1,1,2,3,3,3heptafluoro2iodo

Show more names

IHFPC3F7IHeptafLuoro-2-iodopropaneHeptafluoroiodopropaneSevoflur-2-iodopropane

211-643-3Heptafluoro-2-iodopropane2-Iodoheptafluoropropane2-IodoperfluoropropanePerfluoro-2-iodopropaneMFCD00042089Propane, heptafluoro-2-iodo-Heptafluoroisopropyliodide

Database identifiers

CAS: 677-69-0
PubChem CID: 33978
DTXSID: DTXSID5060982
UNII: DGX6HT3JF7
EC Number: 211-643-3
Nikkaji: J129.116E

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 129

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

PFAS · 4 items

PFAS -> Other/unspecified

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

PFAS -> Other/unspecified

PFAS -> OECD Category

SpringerMaterials PropertiesSchoenflies notation

Vapor Pressure368.0 [mmHg]

Physical DescriptionLiquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -58 °C · -58 °C
Boiling point: 40 °C · 40 °C (lit.)
Density: 2.08 g/mL · 2.08 g/mL at 25 °C (lit.)
vapor pressure: 7.12 psi · 7.12 psi ( 20 °C)
refractive index: 20 · n20/D 1.329(lit.)
Flash point: 38 °C · 38°C
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Light yellow to Light red
Specific Gravity: 2.1 · 2.10
Water Solubility: insoluble
Sensitive: Light Sensitive
BRN: 1841228 · 1841228
InChI: 1S/C3F7I/c4-1(11,2(5,6)7)3(8,9)10
InChIKey: BBZVTTKMXRPMHZ-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(I)C(F)(F)F
LogP: 3.94 · 3.94
CAS DataBase Reference: 677 · 677-69-0(CAS DataBase Reference)
FDA UNII: 6 HT3JF7 · DGX6HT3JF7
NIST Chemistry Reference: 1 · Propane, 1,1,1,2,3,3,3-heptafluoro-2-iodo-(677-69-0)
EPA Substance Registry System: 1 · Propane, 1,1,1,2,3,3,3-heptafluoro-2-iodo- (677-69-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H332-H335
Precautionary statements: 261 · P261-P264-P271-P302+P352-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,Xi,T
Risk Statements: 20 · 20-36/37/38
Safety Statements: 26 · 26-36-37/39
RIDADR: 2810 · 2810
WGK Germany: 3 · 3
RTECS: 3925000 · TZ3925000
F: 8 · 8
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
HS Code: 29037800 · 29037800
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 InhalationEye · Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 7.1% (6 of 85) of reports.

Danger

H315 (55.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 17-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23561

Hazards SummaryCauses changes in leukocyte count, changes in liver weight, and weight loss in repeated-dose inhalation studies of rats; [RTECS] A skin and strong eye irritant; Harmful by inhalation; [Sigma-Aldrich MSDS] See Perfluoropropane.

Hazard Classes and CategoriesSkin Irrit. 2 (55.3%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Toxicity DataLC50 (rat) = 8,100 mg/m3/4hr

Safety data

F: 8
PPE: Eyeshields, Faceshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: TZ3925000
ridadr: 2810
hs_code: 29037800
risk_code: 20-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi,T
hazard_note: Irritant
safety_code: 26-36-37/39
hazard_class: 6.1(b)
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H332-H335
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P302+P352-P304+P340+P312-P305+P351+P338

Chemistry & industry

Uses & manufacturing

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

General Manufacturing InformationPropane, 1,1,1,2,3,3,3-heptafluoro-2-iodo-: ACTIVE

Applications · 2 items

UsesHeptafluoro-2-iodopropane may be used in the preparation of perfluoropropyl magnesium bromide and perfluoropropyl magnesium iodide. It may be used as chain-transfer agent in telomerization reactions of:1,1-difluoroethylene and tetrafluoroethyleneCF3I, C2F5I and n-C3F7I with 1,1-difluoroethylenen-C3F7I with tetrafluoroethylene

General DescriptionHeptafluoro-2-iodopropane is a secondary fluoro alkyl iodide. It can be prepared by addition of iodine monofluoride to hexafluoropropene.

Upstream & downstream products

Upstream raw materials

Fluorosulfuric acid, 1,1,2,3,3,3-hexafluoropropyl ester Fluorosulfuric acid, 1,1,2,3,3,3-hexafluoro-2-iodopropyl ester 2-Hexene, 1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-, (2E)-3-Hexene, 1,1,1,2,2,3,4,5,5,6,6,6-dodecafluoro-, (3E)-Ethyl,1,1,2,2,2-tetrafluoro-1-(trifluoromethyl)1,1,1,2,2,3,4,5,5,5-decafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4-(trifluoromethyl)pentane Perfluoro-1-iodohexane Perfluorobutyl iodide Hexafluoropropylene

Downstream products

Perfluoropropyl iodide Perfluoroacetyl fluoride Trifluoromethyl iodide 1,1,1,2,3,3,3-Heptafluoropropane (Perfluoroisopropyl)phenyliodonium trifluoromethanesulfonate

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

27 records

New reaction record

HRID 494372As reactantuspto-grants-2009_05

HRID 530188As reactantuspto-grants-2016_05

HRID 530189As reactantuspto-grants-2016_05

HRID 530190As reactantuspto-grants-2016_05

HRID 530191As reactantuspto-grants-2016_05

HRID 590905As reactantuspto-grants-2016_01

HRID 590909As reactantuspto-grants-2016_01

HRID 590937As reactantuspto-grants-2016_01

Compound notes

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Basic information