CAS 166281-37-4 2-Bromo-4,5-difluorophenol (HCID 2736288)

Names & identifiers

Preferred name: 2-Bromo-4,5-difluorophenol
IUPAC: 2-bromo-4,5-difluorophenol
English name: 2-Bromo-4,5-difluorophenol
Molecular formula: C6H3BrF2O
Molecular weight: 208.99

Names & synonyms

2-Bromo-4,5-difluorophenol166281-37-4DTXSID30371250RefChem:466386DTXCID50322284605-435-5MFCD00070751SCHEMBL12661662-Bromo-4,5-difluorophenol, 99%CL8461CS-W015185AS-17268

Show more names

2-Bromo-4,5-difL2-Bromo-4,5-difluoro2-Bromo-4,5-difluorophen2-BROMO-4,5-DIFLOUO PHENOL2-Bromo-4,5-difluorophenol97%2-Bromo-4,5-difluorophenol 97%2-Bromo-4,5-difluorophenol >2-BroMo-4,5-difluorophenol, 98%+

EN300-224945Phenol, 2-bromo-4,5-difluoro-2-bromo-4,5-difluoro-phenolAM20060199SCHEMBL3753430FCYZOOHWUOEAOX-UHFFFAOYSA-NBBL102626SBB094131

Database identifiers

CAS: 166281-37-4
PubChem CID: 2736288
DTXSID: DTXSID30371250
EC Number: 605-435-5
Nikkaji: J1.017.933E

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Physicochemical properties

Boiling point: 208.8 · 208.8±35.0 °C(Predicted)
Density: 1.829 g/mL · 1.829 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.531(lit.)
Flash point: 178 °F · 178 °F
storage temp.: Store at room temperature
pka: 7.46 · 7.46±0.23(Predicted)
form: clear liquid
color: Colorless to Yellow
BRN: 8355005 · 8355005
InChI: InChI=1S/C6H3BrF2O/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H
InChIKey: FCYZOOHWUOEAOX-UHFFFAOYSA-N
SMILES: C1(O)=CC(F)=C(F)C=C1Br
CAS DataBase Reference: 166281 · 166281-37-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 2811 · UN2811
WGK Germany: 3 · 3
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 29081990 · 29081990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN2811
hs_code: 29081990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Harmful
safety_code: 26-36/37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Bromo-4,5-difluorophenol is reported to undergo palladium-catalyzed cyclotrimerization to yield hexafluoro- and trimethoxytriphenylene derivatives.

General Description2-Bromo-4,5-difluorophenol is reported to undergo palladium-catalyzed cyclotrimerization to yield hexafluoro- and trimethoxytriphenylene derivatives.