1,2,3,4-Tetrafluorobenzene

HCID 11084CAS 28016-01-5

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1ccc(F)c(F)c1F
InChIKey: SOZFIIXUNAKEJP-UHFFFAOYSA-N
Molecular formula: C6H2F4
Average molar mass: 150.07 g/mol
Monoisotopic mass: 150.00926294

Names & identifiers

Preferred name: 1,2,3,4-Tetrafluorobenzene
IUPAC: 1,2,3,4-tetrafluorobenzene
English name: 1,2,3,4-Tetrafluorobenzene
Molecular formula: C6H2F4
Molecular weight: 150.07

Names & synonyms

1,2,3,4-TETRAFLUOROBENZENE551-62-2TETRAFLUOROBENZENE28016-01-52,3,4,5-TetrafluorobenzeneBenzene, 1,2,3,4-tetrafluoro-EINECS 248-779-8UNII-66365S2RFQ66365S2RFQEINECS 208-997-6NSC-216351,2,3,4-tetrafluorbenzol

Show more names

1,2,3,4-TetrafLo-Tetrafluorobenzene1,2,3,4-Tetrafluorob4-flurobenzoyl chlorideMoxifloxacin Impurity 841,2,3,4-Tetrafluorobenzyl1,2,3,6-Tetrafluorobenzene

DTXSID60870605NSC 21635tetrafluorobenzenesRefChem:71293CHEBI:85066DTXCID30818312DTXSID301016631UN1993

Database identifiers

CAS: 28016-01-5、551-62-2
PubChem CID: 11084
DTXSID: DTXSID60870605
UNII: 66365S2RFQ
EC Number: 208-997-6、248-779-8
Nikkaji: J95.388A

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 102

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesCoriolis coupling

Vapor Pressure49.5 [mmHg]

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -42 °C · -42 °C (lit.)
Boiling point: 95 °C · 95 °C (lit.)
Density: 1.4 g/mL · 1.4 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.408(lit.)
Flash point: 69 °F · 69 °F
storage temp.: 2 · Sealed in dry,2-8°C
form: clear liquid
color: Colorless to Light yellow to Light orange
Specific Gravity: 1.4 · 1.400
BRN: 1910024 · 1910024
Stability: Stable. Highly flammable. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKey: SOZFIIXUNAKEJP-UHFFFAOYSA-N
SMILES: C1(F)=CC=C(F)C(F)=C1F
CAS DataBase Reference: 551 · 551-62-2(CAS DataBase Reference)
FDA UNII: 66365 S2RFQ · 66365S2RFQ
NIST Chemistry Reference: 1 · Benzene, 1,2,3,4-tetrafluoro-(551-62-2)
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 · 16-26-36/37/39-33-7/9
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 · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Hazard information

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See p-Bromofluorobenzene.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

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: 16-26-36/37/39-33-7/9
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