Basic information
- CAS
1489-53-8- Standard SMILES
Fc1cccc(F)c1F- InChIKey
AJKNNUJQFALRIK-UHFFFAOYSA-N- Molecular formula
- C6H3F3
- Average molar mass
- 132.08 g/mol
- Monoisotopic mass
- 132.01868458
Names & identifiers
- Preferred name
- 1,2,3-Trifluorobenzene
- IUPAC
- 1,2,3-trifluorobenzene
- English name
- 1,2,3-Trifluorobenzene
- Molecular formula
- C6H3F3
- Molecular weight
- 132.08
Names & synonyms
Show more names
Database identifiers
- CAS
1489-53-8- PubChem CID
- 15147
- DTXSID
DTXSID90164125- EC Number
- 625-446-9
- Nikkaji
- J149.700F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84
Physicochemical properties
- Boiling point
- 94 · 94-95 °C (lit.)
- Density
- 1.28 g/mL · 1.28 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.423(lit.)
- Flash point
- 25 °F · 25 °F
- storage temp.
- Flammables area
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Specific Gravity
- 1.28 · 1.280
- BRN
- 1862388 · 1862388
- Stability
- Stable. Highly flammable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C6H3F3/c7-4-2-1-3-5(8)6(4)9/h1-3H
- InChIKey
- AJKNNUJQFALRIK-UHFFFAOYSA-N
- SMILES
- C1(F)=CC=CC(F)=C1F
- CAS DataBase Reference
- 1489 · 1489-53-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xi
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 16 · 16-26-36/37/39-37/39-33-7/9
- RIDADR
- 1993 · UN 1993 3/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Flammable
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29039990 · 29039990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 5.8% (3 of 52) of reports.
Danger
H225 (92.3%): Highly Flammable liquid and vapor [Danger Flammable liquids];H315 (90.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (92.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (90.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 52 reports by companies.;There are 9 notifications provided by 49 of 52 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29039990
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- hazard_note
- Flammable
- safety_code
- 16-26-36/37/39-37/39-33-7/9
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H225-H315-H319-H335
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1,2, 3-trifluorobenzene is an organic fluorine compound, mainly used as an intermediate in the production of drugs, agricultural chemicals and dyes.
General DescriptionCrystal structure 1,2,3-trifluorobenzene was reported. The microwave spectrum of 1,2,3-trifluorobenzene was studied using a molecular beam Fourier transform microwave spectrometer. Laser-induced fluorescence spectra of the radical cation of 1,2,3-trifluorobenzene was determined in both the gas phase and solid Ne matrices.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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