1-(Bromomethyl)-2-(difluoromethoxy)benzene

HCID 2736998

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 85684-64-6
Standard SMILES: FC(F)Oc1ccccc1CBr
InChIKey: JSYYKHKAGPBIHF-UHFFFAOYSA-N
Molecular formula: C8H7BrF2O
Average molar mass: 237.04 g/mol
Monoisotopic mass: 235.96483

Names & identifiers

Preferred name: 1-(Bromomethyl)-2-(difluoromethoxy)benzene
IUPAC: 1-(bromomethyl)-2-(difluoromethoxy)benzene
English name: 2-(Difluoromethoxy)benzyl bromide
Molecular formula: C8H7BrF2O
Molecular weight: 237.04

Names & synonyms

1-(bromomethyl)-2-(difluoromethoxy)benzeneRefChem:427217671-880-72-(Difluoromethoxy)benzyl bromide85684-64-6MFCD001901032-difluoromethoxybenzyl bromide[2-(bromomethyl)phenoxy]difluoromethaneBenzene, 1-(bromomethyl)-2-(difluoromethoxy)-SCHEMBL584655SCHEMBL29974042DTXSID90371756

Show more names

O-DIFLUOROMETHOXYBENZYLBROMIDEà-bromo-2-difluoromethoxytoluene2-(Difluoromethoxy)benzylbromide98%alpha-Bromo-2-difluoromethoxytoluene2-(Difluoromethoxy)benzyl bromide 98%2-(Difluoromethoxy)benzyl bromide, 97%,1-(Bromomethyl)-2-(difluoromethoxy)benzene, 2-(Bromomethyl)phenyl difluoromethyl ether

a-Bromo-o-(difluoromethoxy)toluene2-(Difluoromethoxy)-benzyl bromide2-DIFLUOROMETHOXYBENZYLBROMIDECL8702SBB0987151-bromomethyl-2-difluoromethoxybenzeneAKOS005207097PS-9972

Database identifiers

CAS: 85684-64-6
PubChem CID: 2736998
DTXSID: DTXSID90371756
EC Number: 671-880-7

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 132

Physicochemical properties

Boiling point: 222 °C · 222°C
Density: 1 · 1,555 g/cm3
refractive index: 1.518 · 1.518
Flash point: 108 °C · 108°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
color: Clear, light orange
Water Solubility: Immiscible with water.
Sensitive: Lachrymatory
CAS DataBase Reference: 85684 · 85684-64-6(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P305+P351+P338-P309-P310
Hazard Codes: C
Risk Statements: 34 · 34-36/37/38-40
Safety Statements: 24 · 24/25-26-36/37/39-45
RIDADR: 2922 · 2922
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2909309090 · 2909309090
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 26 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr: 2922
hs_code: 2909309090
risk_code: 34-36/37/38-40
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 24/25-26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard statements: H314-H318
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P280-P305+P351+P338-P309-P310

Chemistry & industry

Applications

Uses2-(Difluoromethoxy)benzyl bromide is used as a building block in organic synthesis. It also serves as a coupling reagent and N-protecting reagent. Further, it is used as a gas chromatography derivatizing agent.