1,3,5-Trifluorobenzene (HCID 9745)

Names & identifiers

Preferred name: 1,3,5-Trifluorobenzene
IUPAC: 1,3,5-trifluorobenzene
English name: 1,3,5-Trifluorobenzene
Molecular formula: C6H3F3
Molecular weight: 132.08

Names & synonyms

1,3,5-TRIFLUOROBENZENE372-38-3sym-TrifluorobenzeneBN94C411F8NSC-10264DTXSID90190686RefChem:72337DTXCID30113177206-751-2Benzene, 1,3,5-trifluoro-MFCD00000333UNII-BN94C411F8

Show more names

1,3,5-Trifluorobenze1,3,5-TrifLTrifluorobenzene31,3,5-TRIFLUOTOBENZENE1,3,5-Trifluorobenzene 98%1,3,5-trifluorobenzoic acid

1,3,5-TRIFLUORO BENZENEEINECS 206-751-21,3,5-trifluorbenzol1,3,5-tri-fluorobenzene1,3,5-Trifluorobenzene #SCHEMBL57470SCHEMBL449836SCHEMBL5167497

Database identifiers

CAS: 372-38-3
PubChem CID: 9745
DTXSID: DTXSID90190686
UNII: BN94C411F8
EC Number: 206-751-2
Nikkaji: J95.390C

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 63.3

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesSchoenflies notation

Vapor Pressure104.0 [mmHg]

Physical DescriptionColorless liquid; [MSDSonline]

Physicochemical properties

Melting point: -5.5 °C · -5.5 °C (lit.)
Boiling point: 75 · 75-76 °C (lit.)
Density: 1.277 g/mL · 1.277 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.414(lit.)
Flash point: 19 °F · 19 °F
storage temp.: Flammables area
form: clear liquid
Specific Gravity: 1.277 · 1.277
color: Colorless to Almost colorless
Water Solubility: Insoluble in water.
BRN: 1906457 · 1906457
InChI: InChI=1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey: JXUKFFRPLNTYIV-UHFFFAOYSA-N
SMILES: C1(F)=CC(F)=CC(F)=C1
CAS DataBase Reference: 372 · 372-38-3(CAS DataBase Reference)
FDA UNII: 94 C411F8 · BN94C411F8
NIST Chemistry Reference: 1 · 1,3,5-Trifluorobenzene(372-38-3)
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 · 16-26-36-7-33-29-7/9
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 2 · 2
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 (97.9%): 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesFlam. Liq. 2 (97.9%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
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: 16-26-36-7-33-29-7/9
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 · 3 items

Uses1,3,5-Trifluorobenzene was used in the synthesis of (-)-epicatechin and its 3-O-gallate. It is also used as an intermediate in organic chemical synthesis.

Uses1,3,5-Trifluorobenzene was used in the synthesis of ()-epicatechin and its 3-O-gallate.

General DescriptionRotational Raman spectra of 1,3,5-trifluorobenzene has been studied under high resolution using a single mode argon laser as the exciting source. Proton and fluorine magnetic resonance spectra of 1,3,5-trifluorobenzene in a nematic liquid crystal has been analyzed.

Upstream & downstream products

Upstream raw materials

1,2,4,5-Tetrafluorobenzene 1,3,5-Trichloro-2,4,6-trifluorobenzene 1,3-Dichloro-2,4,6-trifluorobenzene 2,4,6-Trifluorochlorobenzene 3,5-Difluoronitrobenzene 3,5-Difluorochlorobenzene 2,4,6-Trifluorophenylboronic acid Pentafluorobenzene 1,2,3,4-Tetrafluorobenzene 1,3,5-Trichlorobenzene 3,5-Dichlorofluorobenzene

Downstream products

3,5-Difluorophenylacetic acid 2,4,6-Trifluorobenzoic acid 2,4,6-Trifluorobenzenesulfonyl chloride 1-Bromo-2,4,6-trifluorobenzene 2,4,6-Trifluoroiodobenzene 1,3,5-Triphenylbenzene

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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

24 records

New reaction record

HRID 46460As reactantuspto-grants-1979_11

HRID 145243As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 177974As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 350854As reactantuspto-grants-2007_02

HRID 365964As productAs reactantuspto-grants-2000_10

HRID 365965As productuspto-grants-2000_10

HRID 365966As reactantuspto-grants-2000_10

HRID 365967As reactantuspto-grants-2000_10

Linked notes

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Basic information