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Iodine pentafluoride

HCID 522683
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
7783-66-6
Standard SMILES
FI(F)(F)(F)F
InChIKey
PJIYEPACCBMRLZ-UHFFFAOYSA-N
Molecular formula
F5I
Average molar mass
221.8965 g/mol
Monoisotopic mass
221.89649

Overview

Iodine pentafluoride appears as a toxic colorless fuming liquid (m.p. 9 °C). Decomposed by water to iodine and hydrofluoric acid. Contact with organic materials may cause their ignition. Corrosive to metals and tissue. Prolonged exposure of the container to fire or heat may result in their violent rupturing and rocketing. Prolonged exposure to low concentrations or short term exposure to high concentrations may result in adverse health effects.

Names & identifiers

Preferred name
Iodine pentafluoride
IUPAC
pentafluoro-λ5-iodane
English name
Iodine pentafluoride
Molecular formula
F5I
Molecular weight
221.9

Names & synonyms

Iodine pentafluoridePentafluoroiodineIodine fluoride (IF5)UN2495UNII-LFD5C04ER3EINECS 232-019-7LFD5C04ER3DTXSID2052524IODINE PENTAFLUORIDE [MI]EC 232-019-7UN-2495RefChem:148493
Show more names
IF5PentafluoroiodideIodinefluorideFluorine iodideIodpentafluoridIodine fluoride
DTXCID6031097232-019-77783-66-6pentafluoro-lambda5-iodanePentalfluoroiodidePentafluoro-lambda~5~-iodaneSCHEMBL148112PJIYEPACCBMRLZ-UHFFFAOYSA-N

Database identifiers

CAS
7783-66-6
PubChem CID
522683
DTXSID
DTXSID2052524
UNII
LFD5C04ER3
EC Number
232-019-7
Nikkaji
J95.174I

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
6
Formal charge
0
Complexity
37.1

Experimental & physicochemical properties

Chemical Classes · 2 items

Toxic Gases & Vapors -> Other Toxic Gases & Vapors

Corrosives

Physical Description · 3 items

Iodine pentafluoride appears as a toxic colorless fuming liquid (m.p. 9 °C). Decomposed by water to iodine and hydrofluoric acid. Contact with organic materials may cause their ignition. Corrosive to metals and tissue. Prolonged exposure of the container to fire or heat may result in their violent rupturing and rocketing. Prolonged exposure to low concentrations or short term exposure to high concentrations may result in adverse health effects.

Gas Vapor

Colorless fuming liquid (Melting Point = 48 degrees F); [CAMEO]

Physicochemical properties

Melting point
9.4 °C · 9.4°C
Boiling point
104.5 °C · 104.5°C
Density
3 · 3,2 g/cm3
vapor pressure
26.664 hPa · 26.664hPa at 20℃
solubility
2 O · reacts with H2O
form
yellow liquid
color

Safety & regulation

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

GHS classification

GHS Classification · 4 items

Danger

H271 (46.7%): May cause fire or explosion; strong Oxidizer [Danger Oxidizing liquids; Oxidizing solids]

P210, P220, P260, P261, P262, P264, P270, P271, P273, P280, P283, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P306+P360, P316, P319, P320, P321, P330, P361+P364, P363, P370+P378, P371+P380+P375, P391, P403+P233, P405, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards IdentificationWater-reactive material (WR)
Regulatory Information · 4 items

Iodine fluoride (IF5) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Iodine fluoride (IF5) 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)

REACH registered substance: Iodine pentafluoride (EC: 232-019-7)

Iodine fluoride (IF5): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelOxidizer Poison Corrosive
Fire Hazards · 2 items

Excerpt from ERG Guide 144 [Oxidizers (Water-Reactive)]:

· May ignite combustibles (wood, paper, oil, clothing, etc.).

Chemistry & industry

Uses & manufacturing

UsesToxic Gas from Spilling Chemical in Water [Category: Other]
U.S. Production2023: 123,112 lb
Industry UsesAnti-adhesive/cohesive
General Manufacturing Information · 2 items

All Other Basic Inorganic Chemical Manufacturing

Iodine fluoride (IF5): ACTIVE

Applications · 2 items

UsesIodine pentafluoride is a fluorinating agent and strong oxidant, which plays an important role in organic synthesis. It can be used to prepare pentafluoroiodoethane:5 CF2=CF2 + IF5 + 2 I2 → 5 C2F5IIn addition, iodine pentafluoride can also react with isothiocyanato to generate fluorinated hydrocarbon derivatives, and to synthesize other fluorine-containing compounds.Iodine pentafluoride (IF5) is rarely used to fluoride common organic compounds due to the difficulty in controlling their reactivity.

General DescriptionIodine pentafluoride appears as a toxic colorless fuming liquid (m.p. 9° C). Decomposed by water to iodine and hydrofluoric acid. Contact with organic materials may cause their ignition. Corrosive to metals and tissue. Prolonged exposure of the container to fire or heat may result in their violent rupturing and rocketing. Prolonged exposure to low concentrations or short term exposure to high concentrations may result in adverse health effects.

Preparation methods · 1 item

PreparationIodine pentafluoride(IF5) is produced by the action of elemental fluorine on iodine which has a low melting point. The reaction is performed either in solvent or heating iodine to maintain its liquid state. In a commercial preparation about one percent iodine is dissolved in IF5 and brought into fluorination chamber where iodine reacts with fluorine and produces more IF5 which is returned to the receiving vessel. Only a small portion of IF5 is withdrawn from the receiving vessel as product, while the major portion of IF5 is used for dissolving more iodine. This process goes on and on until all iodine is converted into IF5.In another industrial process, iodine is heated above its melting point (113℃) and reacted with elemental fluorine under three atmosphere of pressure. A precaution is taken not to heat iodine above 150℃ to avoid the formation of another product, IF7. Fluorine is added continuously until all iodine has reacted and converted to IF5.

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
yellow
Water Solubility
2 O · reacts violently with H2O [HAW93]
Specific Heat Capacity
0.45 J/ · Cp(gas): 0.45 J/(g·K), at 25℃
Exposure limits
2.5 mg · TLV-TWA 2.5 mg(F)/m3 (ACGIH, MSHA, and OSHA).
InChI
InChI=1S/F5I/c1-6(2,3,4)5
InChIKey
PJIYEPACCBMRLZ-UHFFFAOYSA-N
SMILES
I(F)(F)(F)(F)F
CAS DataBase Reference
7783 · 7783-66-6(CAS DataBase Reference)
EWG's Food Scores
1 · 1
FDA UNII
5 C04ER3 · LFD5C04ER3
NIST Chemistry Reference
Iodine pentafluoride(7783-66-6)
EPA Substance Registry System
Iodine pentafluoride (7783-66-6)
Symbol(GHS)
3 · GHS03,GHS05,GHS06
Signal word
Danger
Hazard statements
271 · H271-H301-H311-H314-H330
Precautionary statements
264 · P264-P270-P280-P260-P271-P284-P301+P310-P330-P302+P352-P312-P361+P364-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P305+P351+P338-P405-P403+P233-P501
Hazard Codes
O
Risk Statements
8 · 8-14-34
Safety Statements
7 · 7/9-17-36/37/39-45
RIDADR
2495 · UN 2495
Hazard Note
Oxidising agent
TSCA
TSCA listed
HazardClass
5.1 · 5.1
PackingGroup
I
REACH Registrations
Inactive
Health Hazards · 2 items

Excerpt from ERG Guide 144 [Oxidizers (Water-Reactive)]:

· TOXIC; inhalation or contact with vapor, substance, or decomposition products may cause severe injury or death.

Hazards SummaryReact with water to form iodine and hydrofluoric acid. May ignite on contact with organic materials; Corrosive to metals and tissue; [CAMEO]
DOT ID and Guide2495 144
Reactive GroupOxidizing Agents, Strong
Reactivity AlertsStrong Oxidizing Agent
Reactivity Profile · 1 item

A powerful oxidizer. Attack glass. Reacts violently with water or strong bases (potassium hydroxide, sodium hydroxide). It chars and usually ignites organic matter. Contact with boron, silicon, red phosphorus, sulfur, arsenic, antimony, bismuth, molybdenum and tungsten causes incandescence. Contact with potassium or sodium leads to explosions. Causes aluminum (foil, powder) to ignite. Explosive reactions with tetraiodoethylene, diethylaminotrimethylsilane. Violent reactions with benzene, dimethyl sulfoxide, tetraiodoethylene [Bretherick, 5th ed., 1995, p. 1434]. IF5 reacts explosively with diethylaminotrimethylsilane even at low temperature. (Oates, G. et al., J. Chem. Soc., Dalton Trans., 1974, 1383).

DOT Hazard Classification · 5 items

Iodine pentafluoride

UN2495

Div 5.1 Oxidizer (49 eCFR § 173.127)

Div 5.1 Oxidizer (49 eCFR § 173.127)

PG I: the degree of danger presented by the material is great

Air and Water ReactionsFumes in air. Reaction with water or water-containing materials is violent, [Mellor 2, Supp. 1:176, 1956].

Safety & protection

Fire FightingExcerpt from ERG Guide 144 [Oxidizers (Water-Reactive)]:
Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 items

Excerpt from ERG Guide 144 [Oxidizers (Water-Reactive)]:

General First Aid:

Exposure Control and Personal Protection · 3 items

· Wear positive pressure self-contained breathing apparatus (SCBA).

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

1.0 [mg/m3], as F, inhalable fraction[German Research Foundation (DFG)]

Nonfire Spill ResponseExcerpt from ERG Guide 144 [Oxidizers (Water-Reactive)]:
Isolation and Evacuation · 4 items

Excerpt from ERG Guide 144 [Oxidizers (Water-Reactive)]:

Immediate precautionary measure

When spilled in water

When spilled in water

Toxic-by-Inhalation (TIH) GasHF - when spill Iodine pentafluoride into water.
Threshold Limit Values (TLV)2.5 [mg/m3], as F
Permissible Exposure Limit (PEL)2.5 [mg/m3], as F
Personal Protective Equipment (PPE)Excerpt from ERG Guide 144 [Oxidizers (Water-Reactive)]:
Emergency Response Planning Guidelines· DO NOT USE WATER OR FOAM.

Toxicology

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (mice) = 760 mg/m3

Regulatory information

DHS Chemicals of Interest (COI) · 4 items

Iodine pentafluoride

A Commercial Grade

A Placarded Amount

Chemical or material that can be mixed with readily available materials.

Safety data

tsca
TSCA listed
ridadr
UN 2495
risk_code
8-14-34
Signal word
Danger
Symbol(GHS)
GHS03,GHS05,GHS06
hazard_code
O
hazard_note
Oxidising agent
safety_code
7/9-17-36/37/39-45
hazard_class
5.1
packing_group
I
Hazard statements
H271-H301-H311-H314-H330
REACH Registrations
Inactive
Precautionary statements
P264-P270-P280-P260-P271-P284-P301+P310-P330-P302+P352-P312-P361+P364-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P305+P351+P338-P405-P403+P233-P501

Suppliers53 total

南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
安徽旺山旺水特种气体有限公司15906197626 · [email protected]
江西核研院新材料有限公司18901398682 18901398682 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
尚澜气体(上海)有限公司4001882517 13194677939 · [email protected]
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PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
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广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
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Fujian Sanming Fengyuan New Material Technology Co., Ltd+86-18806082718 +86-15080556561 · [email protected]
上海炎泽化工有限公司19901447308 19962611955 · [email protected]
成都康巴斯生物科技有限公司18582381569 · [email protected]
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巴师傅(上海)生物医药科技有限公司60662071 18117346937 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
湖南嘉航医药科技有限公司85567275 18932438858 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
聊城金信达新材料有限公司18063557833 18006358937 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
武汉吉鑫益邦生物科技有限公司59768661 13297943853 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
重庆卡兰医药有限公司[email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
上海珅桔化工有限公司13167128868 13661427209 · [email protected]
江苏博思特化工科技有限公司87161895 15651337098 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]