1,2,3-Trifluorobenzene

HCID 15147

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

1,2,3-TRIFLUOROBENZENEBenzene, 1,2,3-trifluoro-DTXSID90164125RefChem:71427DTXCID2086616625-446-9AJKNNUJQFALRIK-UHFFFAOYSA-N1489-53-8trifluorobenzeneC6H3F3MFCD00012013Benzene, trifluoro-
Show more names
1,2,3-TrifL1,2,3-fluorobenzene1,2,3-Trifluorobenze1,2,3-Trilfuorobenzene1,2,3, Triflurobenzene1,2,3-Trifluorobenzene99%1,2,3-Trifluorobenzene 99%3-chloro-4-flurobenzonitrile
3,4,5-trifluoro-benzeneBenzene,1,2,3-trifluoro-3,4,5-trifluorobenzeneSCHEMBL78405SCHEMBL149721SCHEMBL180426SCHEMBL4304866SCHEMBL5167161

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

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

Safety & regulation

GHS classification

GHS Classification · 6 items

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

Hazard Classes and CategoriesFlam. Liq. 2 (92.3%);Skin Irrit. 2 (90.4%);Eye Irrit. 2 (92.3%);STOT SE 3 (90.4%)

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

Chemistry & industry

Applications · 2 items

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.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

15 records

Compound notes

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