Basic information
- CAS
496-69-5- Standard SMILES
Oc1ccc(F)cc1Br- InChIKey
MEYRABVEYCFHHB-UHFFFAOYSA-N- Molecular formula
- C6H4BrFO
- Average molar mass
- 191 g/mol
- Monoisotopic mass
- 189.94295507
Names & identifiers
- Preferred name
- 2-Bromo-4-fluorophenol
- IUPAC
- 2-bromo-4-fluorophenol
- English name
- 2-Bromo-4-fluorophenol
- Molecular formula
- C6H4BrFO
- Molecular weight
- 191
Names & synonyms
2-Bromo-4-fluorophenol496-69-5MEYRABVEYCFHHB-UHFFFAOYSA-DTXSID70345556RefChem:85729DTXCID60296629610-467-8InChI=1/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9HMEYRABVEYCFHHB-UHFFFAOYSA-N2-bromo-4-fluoro-phenolMFCD00010614Phenol, 2-bromo-4-fluoro-
Show more names
2-Bromo-4-fluorophen2-Bromo-4-fluorophenol97%2-Bromo-4-fluorophenol >2-Bromo-4-fluorophenol 97%2-BROMO-4-FLUOROPHENOL 99+%2-Bromo-4-fluorophenol,98+%2-Bromo-4-fluorophenol≥ 99% (GC)2 - broMine phenol - 4 - fluorine
Phenol,2-bromo-4-fluoro-2-bromo-4-flourophenol2-bromo4-fluoro-phenol4-Fluoro-2-bromophenol2-bromo-4-fluoro phenolSCHEMBL91229orb2940394SCHEMBL5453649
Database identifiers
- CAS
496-69-5- PubChem CID
- 605472
- DTXSID
DTXSID70345556- EC Number
- 610-467-8
- Nikkaji
- J382.953G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Melting point
- 43 · 43-45 °C (lit.)
- Boiling point
- 89 °C/1 · 89 °C/1 mmHg (lit.)
- Density
- 1.744 · 1.744
- refractive index
- 1.554 · 1.554
- Flash point
- 185 °F · 185 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Crystalline Solid
- pka
- 8.44 · 8.44±0.18(Predicted)
- color
- Light brown to brown
- BRN
- 2355593 · 2355593
- InChI
- InChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
- InChIKey
- MEYRABVEYCFHHB-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(F)C=C1Br
- CAS DataBase Reference
- 496 · 496-69-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 2 · GHS02,GHS07
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (94.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: No longer Valid Update: 31-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29632
Hazard Classes and CategoriesAcute Tox. 4 (94.2%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 3276
- hs_code
- 29071990
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H228-H302+H312+H332-H302-H315-H319-H335
Chemistry & industry
Applications
Uses2-Bromo-4-fluorophenol was used in preparation of 4,4-difluoro-2-bromo-cyclohexadienone and 6-(aminomethylphenoxy)benzoxaborole analogs.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
112 records
Compound notes
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