p-Cresol, 2,6-dibromo-
Basic information
- CAS
2432-14-6- Standard SMILES
Cc1cc(Br)c(O)c(Br)c1- InChIKey
FIGPGTJKHFAYRK-UHFFFAOYSA-N- Molecular formula
- C7H6Br2O
- Average molar mass
- 265.93 g/mol
- Monoisotopic mass
- 263.87854
Names & identifiers
- Preferred name
- p-Cresol, 2,6-dibromo-
- IUPAC
- 2,6-dibromo-4-methylphenol
- English name
- 2,6-Dibromo-4-methylphenol
- Molecular formula
- C7H6Br2O
- Molecular weight
- 265.93
Names & synonyms
2,6-Dibromo-4-methylphenol2432-14-62,6-Dibromo-p-cresolDibromocresolp-CRESOL, 2,6-DIBROMO-4K2AC6DDV3NSC 76596BRN 2045283EINECS 219-404-5NSC-76596DTXSID401790623-06-00-01381 (Beilstein Handbook Reference)
Show more names
Dibromopcresol2,6-dibromo-p-creso2,6-Dibromo-p-cresol>PARA-CRESOL,2,6-DIBROMO-2,6-dibromo-4-methyl-pheno2,6-Dibromo-p-methylphenol
RefChem:858036DTXCID70101553219-404-5InChI=1/C7H6Br2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3,5-Dibromo-4-hydroxytoluenePhenol, 2,6-dibromo-4-methyl-MFCD000021542,6-dibromo-4-methyl-phenol
Database identifiers
- CAS
2432-14-6- PubChem CID
- 17078
- DTXSID
DTXSID40179062- UNII
- 4K2AC6DDV3
- EC Number
- 219-404-5
- Nikkaji
- J28.696F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 49 · 49-50 °C (lit.)
- Boiling point
- 140 °C · 140 °C / 11mmHg
- Density
- 1.8014 · 1.8014 (rough estimate)
- refractive index
- 1.503 · 1.5030 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 7.21 · 7.21±0.23(Predicted)
- color
- White to Light yellow
- BRN
- 2045283 · 2045283
- InChI
- 1S/C7H6Br2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
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 45 reports by companies from 5 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- GO7700000
- hs_code
- 29081990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- safety_code
- 26-37/39
- 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
Uses2,6-Dibromo-4-methylphenol. Used in noncovalent interactions which drive the efficiency of molybdenum imido alkylidene catalysts for olefin metathesis.
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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