1,3-Dibromo-5-chlorobenzene
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Basic information
- CAS
14862-52-3- Standard SMILES
Clc1cc(Br)cc(Br)c1- InChIKey
FNKCOUREFBNNHG-UHFFFAOYSA-N- Molecular formula
- C6H3Br2Cl
- Average molar mass
- 270.35 g/mol
- Monoisotopic mass
- 267.829
Names & identifiers
- Preferred name
- 1,3-Dibromo-5-chlorobenzene
- IUPAC
- 1,3-dibromo-5-chlorobenzene
- English name
- 1,3-Dibromo-5-chlorobenzene
- Molecular formula
- C6H3Br2Cl
- Molecular weight
- 270.35
Names & synonyms
1,3-Dibromo-5-chlorobenzeneBenzene, 1,3-dibromo-5-chloro-FNKCOUREFBNNHG-UHFFFAOYSA-DTXSID60164036RefChem:72596DTXCID8086527627-184-0FNKCOUREFBNNHG-UHFFFAOYSA-NInChI=1/C6H3Br2Cl/c7-4-1-5(8)3-6(9)2-4/h1-3H14862-52-33,5-Dibromochlorobenzene1-Chloro-3,5-dibromobenzene
Show more names
Fluralaner-045oro-3,5-dibromobenzene3-DibroMo-5-chlorobenzene1,3-bromo-5-chlorobenzenePhloroglucinol Impurity 573,5-Dibromo-1-chlorobenzene
MFCD000707651,3-dibromo-5-chloro-benzeneSCHEMBL151031SCHEMBL491394SCHEMBL491417AC-3191-Chloro-3,5-dibromobenzene, 95%AKOS015835371
Database identifiers
- CAS
14862-52-3- PubChem CID
- 84676
- DTXSID
DTXSID60164036- EC Number
- 627-184-0
- Nikkaji
- J31.742J
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87
Physicochemical properties
- Melting point
- 91 · 91-94 °C (lit.)
- Boiling point
- 256 °C · 256 °C
- Density
- 2.021 · 2.021±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- White to Light yellow
- InChI
- InChI=1S/C6H3Br2Cl/c7-4-1-5(8)3-6(9)2-4/h1-3H
- InChIKey
- FNKCOUREFBNNHG-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC(Cl)=CC(Br)=C1
- CAS DataBase Reference
- 14862 · 14862-52-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29039990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1,3-Dibromo-5-chlorobenzene is a reactant in the preparation of orally bioavailable 1-(1H-indol-4-yl)-3,5-disubstituted benzene analogs as antimitotic agents.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
18 records
Compound notes
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