1,2,4,5-Tetrafluorobenzene

HCID 9474CAS 327-54-8
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1cc(F)c(F)cc1F
InChIKey
SDXUIOOHCIQXRP-UHFFFAOYSA-N
Molecular formula
C6H2F4
Average molar mass
150.07 g/mol
Monoisotopic mass
150.00926271

Names & identifiers

Preferred name
1,2,4,5-Tetrafluorobenzene
IUPAC
1,2,4,5-tetrafluorobenzene
English name
1,2,4,5-Tetrafluorobenzene
Molecular formula
C6H2F4
Molecular weight
150.07

Names & synonyms

1,2,4,5-TETRAFLUOROBENZENE327-54-82,3,5,6-TetrafluorobenzeneNSC-10249AB3CL8US2HDTXSID90186367RefChem:71464DTXCID00108858206-319-3Benzene, 1,2,4,5-tetrafluoro-MFCD000003071,2,4,5-tetrafluoro-benzene
Show more names
1,2,4,5-TetrafLp-Tetrafluorobenzene1,2,4,5-Tetrafluorbenzol1,2,4,5-Tetrafluorobenzylbenzene,1,2,4,5-tetrafluoro-1,2,4,5-Tetrafluorobenzene,98%1,2,4,5-Tetrafluorobenzene 99%1,2,4,5-TETRAFLUOROBENZENE, 99+%
2,3,5,6-Tetrafluorobenzene;p-Tetrafluorobenzene2,3,5,6-Tetrafluorobenzene;NSC 10249;p-Tetrafluorobenzene;NSC10249EINECS 206-319-31,4,5-Tetrafluorobenzene2,5,6-TetrafluorobenzeneSCHEMBL78459Benzene,2,4,5-tetrafluoro-

Database identifiers

CAS
327-54-8
PubChem CID
9474
DTXSID
DTXSID90186367
UNII
AB3CL8US2H
EC Number
206-319-3
Nikkaji
J28K

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
10

Experimental & physicochemical properties

Kovats Retention Index604

Physicochemical properties

Melting point
4 °C · 4 °C (lit.)
Boiling point
90 °C · 90 °C (lit.)
Density
1.344 g/mL · 1.344 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.407(lit.)
Flash point
61 °F · 61 °F
storage temp.
2 · Sealed in dry,2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.5%): 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 68 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98.5%)

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

UsesIt is employed as intermediate in organic synthesis. It is also used as pharmaceutical intermediate.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]

Related reactions

25 records
New reaction record

Linked notes

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