CAS 392-85-8 Benzene, 1-fluoro-2-(trifluoromethyl)- (HCID 9807)

Names & identifiers

Preferred name: Benzene, 1-fluoro-2-(trifluoromethyl)-
IUPAC: 1-fluoro-2-(trifluoromethyl)benzene
English name: 2-Fluorobenzotrifluoride
Molecular formula: C7H4F4
Molecular weight: 164.1

Names & synonyms

2-Fluorobenzotrifluoride392-85-81-Fluoro-2-(trifluoromethyl)benzeneo-FluorobenzotrifluorideBenzene, 1-fluoro-2-(trifluoromethyl)-NSC 10314o,alpha,alpha,alpha-TetrafluorotolueneEINECS 206-880-4DTXSID6059940RefChem:562484DTXCID9039606InChI=1/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4

Show more names

uorobenzotrifL2-tetrafluorotoluene2-Fluorobenzotrifluo2-Fluorobezotrifluorideo-fluorotrifluorotoluene2-Fluoro trifluoroMethylà,à,à,2-tetrafluorotoluene

1-FLUORO-2-TRIFLUOROMETHYLBENZENEalpha,alpha,alpha,2-TetrafluorotolueneMFCD000003741-fluoro-2-trifluoromethyl-benzene2-fluoro-1-(trifluoromethyl)benzeneBenzene, fluoro(trifluoromethyl)-alpha,alpha,alpha,Ar-TetrafluorotolueneA,A,A,2-TETRAFLUOROTOLUENE

Database identifiers

CAS: 392-85-8
PubChem CID: 9807
DTXSID: DTXSID6059940
EC Number: 206-880-4
Nikkaji: J213.623F

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 129

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: -49 °C · -49°C
Boiling point: 114 · 114-115 °C750 mm Hg(lit.)
Density: 1.293 g/mL · 1.293 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.406(lit.)
Flash point: 64 °F · 64 °F
storage temp.: 2 · Sealed in dry,2-8°C
form: clear liquid
Specific Gravity: 1.31 · 1.31
color: Colorless to Light yellow to Light orange
BRN: 2046638 · 2046638
InChI: InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey: BGVGHYOIWIALFF-UHFFFAOYSA-N
SMILES: C1(F)=CC=CC=C1C(F)(F)F
CAS DataBase Reference: 392 · 392-85-8(CAS DataBase Reference)
NIST Chemistry Reference: 1 · Benzene, 1-fluoro-2-(trifluoromethyl)-(392-85-8)
EPA Substance Registry System: 1 · Benzene, 1-fluoro-2-(trifluoromethyl)- (392-85-8)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P261-P305+P351+P338-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P303+P361+P353-P405-P501a
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 · 16-26-33-24/25-7/9
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
Hazard Note: Flammable/Irritant
TSCA: TSCA listed
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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
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/Irritant
safety_code: 16-26-33-24/25-7/9
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-P261-P305+P351+P338-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P303+P361+P353-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-fluoro-2-(trifluoromethyl)-: INACTIVE

Applications

Uses2-Fluorobenzotrifluoride was used in the synthesis of 2,2′-bis(trifluoromethylphenoxy)biphenyl via nucleophilic aromatic substitution reaction with 2,2′-biphenol.