2-(Bromomethyl)-5-(trifluoromethyl)furan (HCID 2794605)

Names & identifiers

Preferred name: 2-(Bromomethyl)-5-(trifluoromethyl)furan
IUPAC: 2-(bromomethyl)-5-(trifluoromethyl)furan
English name: 2-(Bromomethyl)-5-(trifluoromethyl)furan
Molecular formula: C6H4BrF3O
Molecular weight: 228.99

Names & synonyms

2-(bromomethyl)-5-(trifluoromethyl)furan17515-77-4DTXSID70383251RefChem:253352DTXCID40334275695-392-9Furan, 2-(bromomethyl)-5-(trifluoromethyl)-MFCD03086219SCHEMBL2451292-bromomethyl-5-(trifloromethyl)furanCS-W005242SY059454

Show more names

2-(Bromomethyl)-5-(trifluoromethyl)furaneFuran,2-(broMoMethyl)-5-(trifluoroMethyl)-2-(Bromomethyl)-5-(trifluoromethyl)furan97%2-(Bromomethyl)-5-(trifluoromethyl)furan 97%

2-(bromomethyl)-5-(trifluoromethyl)furan, AldrichCPR2-(bromomethyl)-5-(trifluoromethyl)-furan2-(Bromomethyl)-5-(trifluoromethyl)furan (ACI)2-bromomethyl-5-trifluoromethylfuran2-bromomethyl-5-(trifluoromethyl)furanA26868A8118065-(trifluoromethyl)furfuryl bromide

Database identifiers

CAS: 17515-77-4
PubChem CID: 2794605
DTXSID: DTXSID70383251
EC Number: 695-392-9

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Boiling point: 38 °C · 38 °C
Density: 1.693 · 1.693±0.06 g/cm3(Predicted)
refractive index: 1.45 · 1.45
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Oil
color: Clear Colourless
InChI: InChI=1S/C6H4BrF3O/c7-3-4-1-2-5(11-4)6(8,9)10/h1-2H,3H2
InChIKey: YNHVBNGRNNVEMD-UHFFFAOYSA-N
SMILES: O1C(C(F)(F)F)=CC=C1CBr
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H314
Precautionary statements: 260 · P260-P280-P312
Hazard Codes: C
Risk Statements: 34 · 34-36/37/38-43
Safety Statements: 26 · 26-36/37/39-45-36/37
RIDADR: 1760 · 1760
WGK Germany: 3 · WGK 3
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: Ⅲ
HS Code: 2932190090 · 2932190090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralSkin · Acute Tox. 3 OralSkin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (20%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (20%)

Safety data

wgk: WGK 3
ridadr: 1760
hs_code: 2932190090
risk_code: 34-36/37/38-43
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-36/37
hazard_class: 8
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
Hazard statements: H302+H312+H332-H314
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1
Precautionary statements: P260-P280-P312

Chemistry & industry

Applications

Uses2-(Bromomethyl)-5-(trifluoromethyl)furan is an intermediate used to prepare tertiary sulfonamides as liver X receptor antagonists. It is also used to synthesize hydantoin based inhibitors of MMP13 with potential use in osteoarthritis.