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Tribromofluoromethane

HCID 67707
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Basic information

CAS
353-54-8
Standard SMILES
FC(Br)(Br)Br
InChIKey
IHZAEIHJPNTART-UHFFFAOYSA-N
Molecular formula
CBr3F
Average molar mass
270.72 g/mol
Monoisotopic mass
267.75341452

Names & identifiers

Preferred name
Tribromofluoromethane
IUPAC
tribromo(fluoro)methane
English name
FLUOROTRIBROMOMETHANE
Molecular formula
CBr3F
Molecular weight
270.72

Names & synonyms

TribromofluoromethaneFluorotribromomethane353-54-8Methane, tribromofluoro-Tribromo-fluoro-methaneCFBr3Fluoro tribromo methaneEINECS 206-535-8DTXSID2059859Methane, tribromofluoroRefChem:190899DTXCID8038984
Show more names
FC-11B3HALON 1103tribromofluoro-methanribromo(fluoro)methaneFluorotribromomethane,99%Tribromofluoromethane (TBFM)
206-535-8IHZAEIHJPNTART-UHFFFAOYSA-NInChI=1/CBr3F/c2-1(3,4)tribromo(fluoro)methaneCBr3FMFCD00000366Fluorotribromomethane (FC 11B3)fluortribrommethan

Database identifiers

CAS
353-54-8
PubChem CID
67707
DTXSID
DTXSID2059859
EC Number
206-535-8
Nikkaji
J112.427G

Properties

Computed structural properties

XLogP
3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
5
Formal charge
0
Complexity
28.4

Experimental & physicochemical properties

PFASPFAS -> Other/unspecified
SolventsSolvents -> Chlorofluorocarbons
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
73.6 °C · −73.6 °C(lit.)
Boiling point
106 · 106-107 °C(lit.)
Density
2.765 g/mL · 2.765 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.525(lit.)
Flash point
106 · 106-107°C
storage temp.
2 · Storage temp. 2-8°C
form
liquid
Appearance
Colorless to light yellow Liquid
Water Solubility
399.8 mg/L · 399.8mg/L(25 ºC)

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

Hazard information

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Dichlorodifluoromethane, Difluorodibromomethane, Fluorotrichloromethane, and Trifluorobromomethane.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 3082 9 / PGIII
hs_code
29034700
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethane, tribromofluoro-: ACTIVE

Applications

UsesTribromofluoromethane (fluorotribromomethane) was used in the synthesis of dibromofluoromethyllithium that reacted with an aldehyde or ketone to give fluorinated alcohol.

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Related reactions

4 records
New reaction record
HRID 110451 reaction equation
HRID 110451As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 687182 reaction equation
HRID 687182As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1600467 reaction equation
HRID 1600467As reactantuspto-grants-1999_11
HRID 1895971 reaction equation
HRID 1895971As reactantuspto-grants-2013_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Specific Heat Capacity
0.31 J/ · Cp(gas): 0.31 J/(g·K), at 25℃
BRN
1732796 · 1732796
Henry's Law Constant
1.5 · 1.5×10-3 mol/(m3Pa) at 25℃, Fogg and Sangster (2003)
Dielectric constant
3 · 3.0
InChI
InChI=1S/CBr3F/c2-1(3,4)5
InChIKey
IHZAEIHJPNTART-UHFFFAOYSA-N
SMILES
C(Br)(Br)(Br)F
CAS DataBase Reference
353 · 353-54-8(CAS DataBase Reference)
EPA Substance Registry System
Methane, tribromofluoro- (353-54-8)
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, type ABEK (EN14387) respirator filter
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
RIDADR
3082 · UN 3082 9 / PGIII
WGK Germany
3 · 3
Hazard Note
Irritant
TSCA
TSCA listed
HazardClass
IRRITANT, OZONE DEPLETER
HS Code
29034700 · 29034700
Storage Class
10 · 10 - Combustible liquids
Hazard Classifications
2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
hazard_note
Irritant
safety_code
26-36
hazard_class
IRRITANT, OZONE DEPLETER
Storage Class
10 - Combustible liquids
target organs
Respiratory system
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