CAS 2367-76-2 1-Bromo-2,4,6-trifluorobenzene (HCID 75398)

Names & identifiers

Preferred name: 1-Bromo-2,4,6-trifluorobenzene
IUPAC: 2-bromo-1,3,5-trifluorobenzene
English name: 1-Bromo-2,4,6-trifluorobenzene
Molecular formula: C6H2BrF3
Molecular weight: 210.98

Names & synonyms

1-Bromo-2,4,6-trifluorobenzene2367-76-22-Bromo-1,3,5-trifluorobenzene2,4,6-TrifluorobromobenzeneBenzene, 2-bromo-1,3,5-trifluoro-EINECS 219-125-9SG6QA77T6RDTXSID80178337RefChem:430178DTXCID10100828219-125-92-bromo-1,3,5-trifluoro-benzene

Show more names

1-Bromo-2,4,6-trifL1-Bromo-2,4,6-triflu2,4,6-Trifluorophenyl bromide1-Bromo-2,4,6-trifluorobezene1,3,5-Trifluoro-2-bromobenzene2,4,6-Trifluoro-1-bromobenzene

MFCD000003342,4,6-Trilfuorobromobenzene2,4,6-TrifluorovbromobenzeneUNII-SG6QA77T6RSCHEMBL9196652,4,6-tri-fluorobromobenzene2,4,6-trifluoro-bromobenzene1-bromo-2,4,6-triflurobenzene

Database identifiers

CAS: 2367-76-2
PubChem CID: 75398
DTXSID: DTXSID80178337
UNII: SG6QA77T6R
EC Number: 219-125-9
Nikkaji: J208.104K

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 3.5 °C · 3.5 °C (lit.)
Boiling point: 140.5 °C · 140.5 °C (lit.)
Density: 1.79 g/mL · 1.79 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.485(lit.)
Flash point: 137 °F · 137 °F
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Chloroform, Ethyl Acetate
form: Oil
color: Clear Colourless to Light Yellow
Specific Gravity: 1.8 · 1.80
BRN: 2502668 · 2502668
InChI: 1S/C6H2BrF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
InChIKey: PZBSPSOGEVCRQI-UHFFFAOYSA-N
SMILES: Fc1cc(F)c(Br)c(F)c1
CAS DataBase Reference: 2367 · 2367-76-2(CAS DataBase Reference)
FDA UNII: 6 QA77T6R · SG6QA77T6R
NIST Chemistry Reference: 1 · 1-Bromo-2,4,6-trifluorobenzene(2367-76-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F
Risk Statements: 36 · 36/37/38-10
Safety Statements: 26 · 26-37/39-16
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
Hazard Note: Flammable/Irritant
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29039990 · 29039990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): 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 48 reports by companies from 6 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. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29039990
risk_code: 36/37/38-10
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,F
hazard_note: Flammable/Irritant
safety_code: 26-37/39-16
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses1-Bromo-2,4,6-trifluorobenzene exhibits packing polymorphism in two nonidentical solid-state phases. 1-Bromo-2,4,6-trifluorobenzene participates in Pd-catalyzed oxidative Heck reaction with allyl ester.

General Description1-Bromo-2,4,6-trifluorobenzene exhibits packing polymorphism in two nonidentical solid-state phases. 1-Bromo-2,4,6-trifluorobenzene participates in Pd-catalyzed oxidative Heck reaction with allyl ester.