Basic information
- Standard SMILES
Fc1ccccc1I- InChIKey
TYHUGKGZNOULKD-UHFFFAOYSA-N- Molecular formula
- C6H4FI
- Average molar mass
- 222 g/mol
- Monoisotopic mass
- 221.93417635
Names & identifiers
- Preferred name
- 1-Fluoro-2-iodobenzene
- IUPAC
- 1-fluoro-2-iodobenzene
- English name
- 1-Fluoro-2-iodobenzene
- Molecular formula
- C6H4FI
- Molecular weight
- 222
Names & synonyms
1-Fluoro-2-iodobenzene348-52-7o-FluoroiodobenzeneBenzene, 1-fluoro-2-iodo-EINECS 206-477-3NSC 51766DTXSID3059842RefChem:75801DTXCID6038904InChI=1/C6H4FI/c7-5-3-1-2-4-6(5)8/h1-4TYHUGKGZNOULKD-UHFFFAOYSA-N2-Fluoroiodobenzene
Show more names
CL055uoroiodobenzene2-FluoriodobenzeneO-IODO FLUOROBENZENE1-fluor-2-oiodobenzene1-fluoro-2-iodo-benzen
o-Iodofluorobenzene2-iodofluorobenzene1-fluoro-2-iodo-benzeneMFCD00001031NSC-517661-iodo-2-fluorobenzene2-fluoro-iodobenzene2-fluoro-1-iodobenzene
Database identifiers
- CAS
348-52-7- PubChem CID
- 67673
- DTXSID
DTXSID3059842- UNII
- 4HBY5QA7NT
- EC Number
- 206-477-3
- Nikkaji
- J102.837E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 41 · −41-−40 °C(lit.)
- Boiling point
- 188 · 188-189 °C(lit.)
- Density
- 1.903 g/mL · 1.903 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.59(lit.)
- Flash point
- 160 °F · 160 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- Specific Gravity
- 1.903 · 1.903
- color
- Clear light yellow
- Sensitive
- Light Sensitive
- BRN
- 2039770 · 2039770
- InChI
- 1S/C6H4FI/c7-5-3-1-2-4-6(5)8/h1-4H
- InChIKey
- TYHUGKGZNOULKD-UHFFFAOYSA-N
- SMILES
- Fc1ccccc1I
- CAS DataBase Reference
- 348 · 348-52-7(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · Benzene, 1-fluoro-2-iodo-(348-52-7)
- EPA Substance Registry System
- o-Fluoroiodobenzene (348-52-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,N,Xi
- Risk Statements
- 22 · 22-37/38-41-51/53-36/37/38
- Safety Statements
- 26 · 26-39-61-37/39
- RIDADR
- 3082 · UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
- WGK Germany
- 2 · 2
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29039990 · 29039990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationBenzene, 1-fluoro-2-iodo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (86%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
- hs_code
- 29039990
- risk_code
- 22-37/38-41-51/53-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,N,Xi
- safety_code
- 26-39-61-37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-fluoro-2-iodo-: ACTIVE
Applications
Usessuzuki reaction
Uses2-Fluoroiodobenzene was used in the synthesis of:bridged biphenyl compounds, 1-fluoro-8-methylbiphenylene and 4-fluoro-5-methylfluorene2-acetyl-7-iodo-1-benzothiophenechiral o-phosphanophenyl sulfoxides
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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