CAS 202865-59-6 2-Bromo-4,6-difluoroanisole (HCID 2736263)

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Basic information

CAS: 202865-59-6
Standard SMILES: COc1c(F)cc(F)cc1Br
InChIKey: MFXWQGHKLXJIIP-UHFFFAOYSA-N
Molecular formula: C7H5BrF2O
Average molar mass: 223.01 g/mol
Monoisotopic mass: 221.94918

Names & identifiers

Preferred name: 2-Bromo-4,6-difluoroanisole
IUPAC: 1-bromo-3,5-difluoro-2-methoxybenzene
English name: 2-Bromo-4,6-difluoroanisole
Molecular formula: C7H5BrF2O
Molecular weight: 223.01

Names & synonyms

2-Bromo-4,6-difluoroanisole202865-59-6DTXSID80371240RefChem:257130DTXCID00322274622-386-51-bromo-3,5-difluoro-2-methoxybenzeneMFCD000707541-bromo-3,5-difluoro-2-methoxy-benzeneBenzene, 1-bromo-3,5-difluoro-2-methoxy-SCHEMBL43557822-Bromo-4,6-difluoroanisole, 97%

Show more names

BUTTPARK 20\04-772-Bromo-4,6-difluoroanisole99%2-bromo-4,6-difluorobenzyl ether2-Bromo-4,6-difluoroanisole ISO 9001：2015 REACH1-Bromo-3,5-difluoro-2-methoxybenzene, 2-Bromo-4,6-difluorophenyl methyl ether

AKOS005255085CS-W014710SY106552EN300-1896170HEPTADECAFLUOROOCTANESULFONICACID1-bromo-3,5-difluoA19894SCHEMBL30407976

Database identifiers

CAS: 202865-59-6
PubChem CID: 2736263
DTXSID: DTXSID80371240
EC Number: 622-386-5
Nikkaji: J2.538.049E

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Physicochemical properties

Boiling point: 212.9 · 212.9±35.0 °C(Predicted)
Density: 1.615 · 1.615±0.06 g/cm3(Predicted)
refractive index: 20 · n20/D 1.5040(lit.)
storage temp.: Inert atmosphere,Room Temperature
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C7H5BrF2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3
InChIKey: MFXWQGHKLXJIIP-UHFFFAOYSA-N
SMILES: C1(Br)=CC(F)=CC(F)=C1OC
CAS DataBase Reference: 202865 · 202865-59-6(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

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (90.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2909309090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,F
safety_code: 26-36/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system

Chemistry & industry

Applications

Uses2-Bromo-4,6-difluoroanisole is an organic compound, commonly used as a pharmaceutical, pesticide intermediate and organic synthesis raw material.