1,2,3,5-Tetrafluorobenzene

HCID 16910CAS 2367-82-0

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Basic information

Standard SMILES: Fc1cc(F)c(F)c(F)c1
InChIKey: UHHYOKRQTQBKSB-UHFFFAOYSA-N
Molecular formula: C6H2F4
Average molar mass: 150.074 g/mol
Monoisotopic mass: 150.00926294

Names & identifiers

Preferred name: 1,2,3,5-Tetrafluorobenzene
IUPAC: 1,2,3,5-Tetrafluorobenzene
English name: 1,2,3,5-Tetrafluorobenzene
Molecular formula: C6H2F4
Molecular weight: 150.07

Names & synonyms

1,2,3,5-TetrafL4-flurobenzalcohol1,2,3,5-Tetrafluorobenzyl1,2,3,5-TETRAFLUOROBENZENE1,3,4,5-Tetrafluorobenzene1,2,4,6-Tetrafluorobenzenebenzene,1,2,3,5-tetrafluoro-1,2,3,5-Tetrafluorobenzene97%1,2,3,5-Tetrafluorobenzene 97%1,2,3,5-tetrafluoronitrobenzene

Database identifiers

CAS: 2367-82-0
PubChem CID: 16910
DTXSID: DTXSID10178340
UNII: BV201PZ5TV
EC Number: 219-126-4
Nikkaji: J171F

Properties

Physicochemical properties

Melting point: -48 °C · -48 °C
Boiling point: 83 °C · 83 °C(lit.)
Density: 1.393 g/mL · 1.393 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.404(lit.)
Flash point: 40 °F · 40 °F
storage temp.: Refrigerator
form: clear liquid
color: Colorless to Almost colorless
Water Solubility: 743.1 mg/L · 743.1mg/L(25 ºC)
Henry's Law Constant: 5.1 · 5.1×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI: InChI=1S/C6H2F4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey: UHHYOKRQTQBKSB-UHFFFAOYSA-N
SMILES: C1(F)=CC(F)=CC(F)=C1F
CAS DataBase Reference: 2367 · 2367-82-0(CAS DataBase Reference)
FDA UNII: 201 PZ5TV · BV201PZ5TV
NIST Chemistry Reference: 1 · Benzene, 1,2,3,5-tetrafluoro-(2367-82-0)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 2 · GHS02,GHS05,GHS09
Signal word: Danger
Hazard statements: 225 · H225-H318-H411
Precautionary statements: 210 · P210-P273-P280-P305+P351+P338+P310
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xi
Risk Statements: 11 · 11-36/37/38
Safety Statements: 16 · 16-26-7-33-29-7/9
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
Hazard Note: Flammable/Irritant
HazardClass: 3.1 · 3.1
PackingGroup: II
HS Code: 29039990 · 29039990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Eye · Aquatic Chronic 2Eye Dam. 1Flam. Liq. 2
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

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,GHS05,GHS09
hazard_code: F,Xi
hazard_note: Flammable/Irritant
safety_code: 16-26-7-33-29-7/9
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H318-H411
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: Aquatic Chronic 2Eye Dam. 1Flam. Liq. 2
Precautionary statements: P210-P273-P280-P305+P351+P338+P310

Chemistry & industry

Applications

UsesIntermediates of pharmaceuticals, pesticides, and liquid crystal materials.

General DescriptionThe crystal structure of 1,2,3,5-tetrafluorobenzene was studied. The nuclear magnetic resonance spectrum (1H and 19F) of 1,2,3,5-tetrafluorobenzene was studied.

Upstream & downstream products

Upstream raw materials

1,3-Cyclohexadiene, 1,2,3,5,5,6,6-heptafluoro-2,3,4,6-TETRAFLUOROBENZENEBORONIC ACID 1,3-Diiodotetrafluorobenzene Benzene, 1,2,3,5-tetrafluoro-4-iodo-1-bromo-2,3,4,6-tetrafluorobenzene 1,4-Cyclohexadiene, 1,3,3,5,6,6-hexafluoro-2,3,5-TRIFLUOROANILINE 1,3-DIBROMOTETRAFLUOROBENZENE 1,3,5-Trifluoro-2-nitrobenzene Water Chlorotrimethylsilane

Downstream products

1-bromo-2,3,4,6-tetrafluorobenzene 1,2,3,4-Tetrafluorobenzene 1,2,4,5-Tetrafluorobenzene 3,4,5-Trifluoroaniline

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海莉凯化工技术有限公司16628776521 · [email protected]

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