2-Bromo-4,6-difluorophenol
Basic information
- CAS
98130-56-4- Standard SMILES
Oc1c(F)cc(F)cc1Br- InChIKey
YDRZYJATKMBSJX-UHFFFAOYSA-N- Molecular formula
- C6H3BrF2O
- Average molar mass
- 208.99 g/mol
- Monoisotopic mass
- 207.93353326
Names & identifiers
- Preferred name
- 2-Bromo-4,6-difluorophenol
- IUPAC
- 2-bromo-4,6-difluorophenol
- English name
- 2-Bromo-4,6-difluorophenol
- Molecular formula
- C6H3BrF2O
- Molecular weight
- 208.99
Names & synonyms
2-Bromo-4,6-difluorophenol98130-56-4DTXSID50371252RefChem:85696DTXCID70322286619-323-92-Bromo-4,6-difluoro-phenolMFCD00070752Phenol, 2-bromo-4,6-difluoro-SCHEMBL1155741SBB094128AKOS005257825
Show more names
BUTTPARK 20\04-782-Bromo-4,6-difluorophenol97%2-Bromo-4,6-difluorophenol 97%2-Bromo-4,6-difluorophenol >2-Bromo-4,6-difluorophenol, 98+%2-Bromo-4,6-difluorophenol ISO 9001：2015 REACH
CS-W015188AS-58802BP-10933SY049460DB-038213B3004NS00126859ST50827556
Database identifiers
- CAS
98130-56-4- PubChem CID
- 2736290
- DTXSID
DTXSID50371252- EC Number
- 619-323-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 153 · 153-154 °C(lit.)
- Density
- 1.821 g/mL · 1.821 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5370(lit.)
- Flash point
- 53 °C/1mm · 53°C/1mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 7.2 · 7.20±0.23(Predicted)
- color
- Colorless to Light yellow
- BRN
- 3245985 · 3245985
- CAS DataBase Reference
- 98130 · 98130-56-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302+H312+H332-H315-H319
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful
- HazardClass
- IRRITANT
- HS Code
- 2908190090 · 2908190090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 46 reports by companies from 6 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
- wgk
- 3
- hs_code
- 2908190090
- 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
- Hazard statements
- H335-H302+H312+H332-H315-H319
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Bromo-4,6-difluorophenol is a multifunctional chemical reagent containing bromine atoms, fluorine atoms and hydroxyl active substituents in its benzene ring structure. It is mostly used as a reagent for chemical reactions or as a raw material for organic synthesis, and is a key intermediate in the preparation of other organic cyclic compounds or active ingredients of drugs.
Upstream & downstream products
Upstream raw materials
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Related reactions
3 records
Compound notes
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