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3,3,3-Trifluoropropyltrichlorosilane

HCID 68963
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
592-09-6
Standard SMILES
FC(F)(F)CC[Si](Cl)(Cl)Cl
InChIKey
WEUBQNJHVBMUMD-UHFFFAOYSA-N
Molecular formula
C3H4Cl3F3Si
Average molar mass
231.5 g/mol
Monoisotopic mass
229.909994

Overview

structure in first source

Names & identifiers

Preferred name
3,3,3-Trifluoropropyltrichlorosilane
IUPAC
trichloro(3,3,3-trifluoropropyl)silane
English name
Trichloro(3,3,3-trifluoropropyl)silane
Molecular formula
C3H4Cl3F3Si
Molecular weight
231.5

Names & synonyms

3,3,3-trifluoropropyltrichlorosilaneRefChem:690653,3,3-TFPTClSiTrichloro(3,3,3-trifluoropropyl)silane592-09-6(3,3,3-Trifluoropropyl)trichlorosilaneSilane, trichloro(3,3,3-trifluoropropyl)-EINECS 209-744-2MFCD00013602A2MIV9WA9Z3,3,3-(trifluoropropyl)trichlorosilaneC3H4Cl3F3Si
Show more names
DK832trifluoropropyltrichlorosilanetrichloro(3,3,3-trifluoropropyl)-silan3-TRICHLOROSILYL-1,1,1-TRIFLUOROPROPANESilane, trichloro(3,3,3-trifluoropropyl)(3,3,3-Trifluoropropyl)trichlorosilane97%(3,3,3-Trifluoropropyl)trichlorosilane 97%
3,3,3-TrifluropropyltrichlorosilineCF3CH2CH2SiCl3UNII-A2MIV9WA9ZSCHEMBL191119DTXSID8060458TSL-8261SBB097809AKOS005762879

Database identifiers

CAS
592-09-6
PubChem CID
68963
DTXSID
DTXSID8060458
UNII
A2MIV9WA9Z
EC Number
209-744-2
Nikkaji
J188.465D

Properties

Computed structural propertiesFilling in

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
107

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Boiling point
114 °C · 114 °C(lit.)
Density
1.419 g/mL · 1.419 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.386(lit.)
Flash point
82 °F · 82 °F
form
clear liquid
color
Colorless to Light yellow to Light orange
Specific Gravity
1.395 · 1.395
Water Solubility
Reacts with water.
Hydrolytic Sensitivity
8 · 8: reacts rapidly with moisture, water, protic solvents
Sensitive
Moisture Sensitive
BRN
1748876 · 1748876
InChI
1S/C3H4Cl3F3Si/c4-10(5,6)2-1-3(7,8)9/h1-2H2

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

H225 (15.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Silane, trichloro(3,3,3-trifluoropropyl)-
Hazard Classes and CategoriesFlam. Liq. 2 (15.2%)

Safety data

F
10
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 2986 8/PG 2
hs_code
2931900090
risk_code
11-14-34
Signal word
Danger
Symbol(GHS)
GHS02,GHS05
hazard_code
F,C
hazard_note
Corrosive/Flammable
safety_code
16-26-27-36/37/39-45
hazard_class
3

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationSilane, trichloro(3,3,3-trifluoropropyl)-: ACTIVE
Applications · 2 items

Uses(3,3,3-Trifluoropropyl)trichlorosilane is used for the production of fluoro silicones liquids.

UsesTrichloro(3,3,3-trifluoropropyl)silane can be used as a precursor for the preparation of: Fluorinated polyhedral oligomeric silsesquioxane (F-POSS) by base-catalyzed condensation. 3,3,3-Trifluoropropyltrimethoxysilane by alcoholysis reaction with methanol.It can also be used as a silanizing agent to coat the inner surface of pipettes in order to investigate the electrical charging of droplets discharged from the micropipette.

Upstream & downstream products

Upstream raw materials

Silane, (3,3,3-trifluoropropyl)-(1E)-1H,2H-Perfluoroprop-1-ene2,3,3,3-TETRAFLUOROPROPENETrifluoropropene

Downstream products

(3,3,3-TRIFLUOROPROPYL)TRIMETHOXYSILANE

Related reactions

7 records
New reaction record
HRID 148179 reaction equation
HRID 148179As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 814127 reaction equation
HRID 814127As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1068508 reaction equation
HRID 1068508As productuspto-grants-2001_06
HRID 1408489 reaction equation
HRID 1408489As reactantuspto-grants-2014_12
HRID 1937076 reaction equation
HRID 1937076As productuspto-grants-2002_05
HRID 2226974 reaction equation
HRID 2226974As productAs reactantuspto-grants-1994_09
HRID 2226975 reaction equation
HRID 2226975As reactantuspto-grants-1994_09

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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InChIKey
WEUBQNJHVBMUMD-UHFFFAOYSA-N
SMILES
FC(F)(F)CC[Si](Cl)(Cl)Cl
CAS DataBase Reference
592 · 592-09-6(CAS DataBase Reference)
FDA UNII
2 MIV9WA9Z · A2MIV9WA9Z
NIST Chemistry Reference
Silane, trichloro(3,3,3-trifluoropropyl)-(592-09-6)
EPA Substance Registry System
Silane, trichloro(3,3,3-trifluoropropyl)- (592-09-6)
UNSPSC Code
12352001 · 12352001
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02,GHS05
Signal word
Danger
Hazard statements
226 · H226-H314
Precautionary statements
210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes
F,C
Risk Statements
11 · 11-14-34
Safety Statements
16 · 16-26-27-36/37/39-45
RIDADR
2986 · UN 2986 8/PG 2
WGK Germany
3 · 3
F
10 · 10
Hazard Note
Corrosive/Flammable
TSCA
TSCA listed
HazardClass
3 · 3
PackingGroup
II
HS Code
2931900090 · 2931900090
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
3 Skin · Flam. Liq. 3Skin Corr. 1B
Storage Class
3 - Flammable liquids
packing_group
II
Hazard statements
H226-H314
Hazard Classifications
Flam. Liq. 3Skin Corr. 1B
Precautionary statements
P210-P233-P240-P280-P303+P361+P353-P305+P351+P338