3,4,5,6-Tetrabromo-o-cresol
Basic information
- CAS
576-55-6- Standard SMILES
Cc1c(O)c(Br)c(Br)c(Br)c1Br- InChIKey
GGIDUULRWQOXLR-UHFFFAOYSA-N- Molecular formula
- C7H4Br4O
- Average molar mass
- 423.72 g/mol
- Monoisotopic mass
- 419.69957
Names & identifiers
- Preferred name
- 3,4,5,6-Tetrabromo-o-cresol
- IUPAC
- 2,3,4,5-tetrabromo-6-methylphenol
- English name
- 3,4,5,6-Tetrabromo-o-cresol
- Molecular formula
- C7H4Br4O
- Molecular weight
- 423.72
Names & synonyms
3,4,5,6-Tetrabromo-o-cresol576-55-6TETRABROMO-O-CRESOLPhenol, 2,3,4,5-tetrabromo-6-methyl-o-Cresol, 3,4,5,6-tetrabromo-76L0Y0P4RGNSC-4866RefChem:90884209-403-82,3,4,5-Tetrabromo-6-methylphenolo-Cresol, tetrabromo-2-Methyl-3,4,5,6-tetrabromophenol
Show more names
deodorantrichter/kLABOTEST-BB LT00233189TETRABROMO-ORTHO-CRESOLTetrabromo-2-methylphenol3,4,5,6-tetrabromo-o-creso3,4,5,6-TETRABROMO-ORTHO-CRESOL3,4,5,6-TETRABROMO-O-CRESOL 98+%
3,4,5,6-Tetrabromo-2-methylphenolMFCD00002148SatinaseptDesdermanRemanolDeodorant Richter/KNSC 4866EINECS 209-403-8
Database identifiers
- CAS
576-55-6- PubChem CID
- 11336
- DTXSID
DTXSID6040163- UNII
- 76L0Y0P4RG
- EC Number
- 209-403-8
- Nikkaji
- J71.653G
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 209 · 209-212 °C(lit.)
- Boiling point
- 340 °C · 340°C (rough estimate)
- Density
- 2.4745 · 2.4745 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 6.31 · 6.31±0.33(Predicted)
- color
- White to Almost white
- Merck
- 14 · 14,9184
- CAS DataBase Reference
- 576 · 576-55-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 76 L0Y0P4RG · 76L0Y0P4RG
- EPA Substance Registry System
- 2 · Phenol, 2,3,4,5-tetrabromo-6-methyl- (576-55-6)
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 2,3,4,5-tetrabromo-6-methyl-
Phenol, 2,3,4,5-tetrabromo-6-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GP3135000
- hs_code
- 2908199090
- risk_code
- 36/37/38-48/20
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39
Chemistry & industry
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >10000
General Manufacturing InformationPhenol, 2,3,4,5-tetrabromo-6-methyl-: INACTIVE
Applications
UsesFungicide.
Preparation methods
Preparation3,4,5,6-tetrabromo-o-cresol is obtained by reaction of o-cresol with bromine in tetrachloromethane in the presence of aluminum and iron powder. It is used as a preservative for cosmetics, as an active component in deodorants and disinfectants, and as an active agent for antimycotic finishing of textile materials; it is, however, of minor importance.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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