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1,1,1-Trifluoro-2-iodoethane

HCID 67709
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
353-83-3
Standard SMILES
FC(F)(F)CI
InChIKey
RKOUFQLNMRAACI-UHFFFAOYSA-N
Molecular formula
C2H2F3I
Average molar mass
209.94 g/mol
Monoisotopic mass
209.91533272

Overview

structure in first source

Names & identifiers

Preferred name
1,1,1-Trifluoro-2-iodoethane
IUPAC
1,1,1-trifluoro-2-iodoethane
English name
2-Iodo-1,1,1-trifluoroethane
Molecular formula
C2H2F3I
Molecular weight
209.94

Names & synonyms

1,1,1-Trifluoro-2-iodoethane353-83-32-Iodo-1,1,1-trifluoroethane2,2,2-Trifluoroethyl iodide1,1,1-TrifluoroiodoethaneEthane, 1,1,1-trifluoro-2-iodo-CA0J38WE9ZDTXSID80188810RefChem:70856DTXCID40111301206-541-0Trifluoroethyl iodide
Show more names
TRIFLUORO IODOETHANEuoro-2-iodoethane1H,1H-Perfluoroethyl iodide
1-Iodo-2,2,2-trifluoroethane1,1,1-trifluoro-2-iodo-ethaneMFCD000010822,2,2-trifluoroiodoethaneCF3CH2IC2H2F3I2,2,2-trifluoro-1-iodoethaneEthane,1,1,1-trifluoro-2-iodo-

Database identifiers

CAS
353-83-3
PubChem CID
67709
DTXSID
DTXSID80188810
UNII
CA0J38WE9Z
EC Number
206-541-0
Nikkaji
J149.904A

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
6
Formal charge
0
Complexity
38.5

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point
54.8 °C · 54.8 °C(lit.)
Density
2.13 g/mL · 2.13 g/mL at 25 °C(lit.)
vapor pressure
3.96 psi · 3.96 psi ( 20 °C)
refractive index
20 · n20/D 1.401(lit.)
Flash point
53 · 53-55°C
storage temp.
2 · 2-8°C
solubility
Chloroform
form
Liquid
Specific Gravity
2.149 · 2.149
color
Clear colorless to pink
Water Solubility
Insoluble
Sensitive
Light Sensitive
BRN
1733201 · 1733201

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

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information2-Iodo-1,1,1-trifluoroethane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
8
PPE
Eyeshields, Gloves
wgk
3
hs_code
29037990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant/Keep Cold/Light Sensitive
safety_code
26-36-37/39
hazard_class
IRRITANT
Storage Class
10 - Combustible liquids
target organs
Respiratory system

Chemistry & industry

Applications

Uses1,1,1-Trifluoro-2-iodoethane (cas# 353-83-3) is a compound useful in organic synthesis.

Uses1,1,1-Trifluoro-2-iodoethane (cas# 353-83-3) is a compound useful in organic synthesis.

Upstream & downstream products

Downstream products

3,3,3-Trifluoropropionic acid4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole2,2,2-Trifluoroethyl acrylateNaphthalene, 2-(2,2,2-trifluoroethyl)-

Related reactions

247 records
New reaction record
HRID 25280 reaction equation
HRID 25280As reactantuspto-grants-2005_02
HRID 25281 reaction equation
HRID 25281As reactantuspto-grants-2005_02
HRID 25282 reaction equation
HRID 25282As reactantuspto-grants-2005_02
HRID 33830 reaction equation
HRID 33830As reactantuspto-grants-2008_09
HRID 33891 reaction equation
HRID 33891As reactantuspto-grants-2008_09
HRID 70561 reaction equation
HRID 70561As reactantuspto-grants-2014_09
HRID 94996 reaction equation
HRID 94996As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 98822 reaction equation
HRID 98822As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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InChI
1S/C2H2F3I/c3-2(4,5)1-6/h1H2
InChIKey
RKOUFQLNMRAACI-UHFFFAOYSA-N
SMILES
FC(F)(F)CI
CAS DataBase Reference
353 · 353-83-3(CAS DataBase Reference)
FDA UNII
0 J38WE9Z · CA0J38WE9Z
NIST Chemistry Reference
1 · 1,1,1-Trifluoro-2-iodoethane(353-83-3)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs
Respiratory system
PPE
Eyeshields, Gloves
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36-37/39
WGK Germany
3 · 3
F
8 · 8
Hazard Note
Irritant/Keep Cold/Light Sensitive
HazardClass
IRRITANT
HS Code
29037990 · 29037990
Storage Class
10 · 10 - Combustible liquids
Hazard Classifications
2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Hazard statements
H315-H319-H335
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P261-P264-P271-P280-P302+P352-P305+P351+P338