Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate
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Basic information
- CAS
21855-46-9- Standard SMILES
CCOC(=O)c1c(C)c(Br)c(O)c(Br)c1O- InChIKey
RVOPKMSNJRHIAQ-UHFFFAOYSA-N- Molecular formula
- C10H10Br2O4
- Average molar mass
- 353.99 g/mol
- Monoisotopic mass
- 351.89458
Names & identifiers
- Preferred name
- Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate
- IUPAC
- ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate
- English name
- ETHYL 3,5-DIBROMO-2,4-DIHYDROXY-6-METHYLBENZOATE
- Molecular formula
- C10H10Br2O4
- Molecular weight
- 353.99
Names & synonyms
Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate21855-46-9DTXSID90302227RefChem:343054DTXCID90253361621-913-6Ethyl 2,4-dihydroxy-3,5-dibromo-6-methylbenzoateNSC149785SCHEMBL4383570RVOPKMSNJRHIAQ-UHFFFAOYSA-NAKOS015889574NSC-149785
Show more names
Benzoic acid, 3,5-dibromo-2,4-dihydroxy-6-methyl-, ethyl ester
DB-066637ST51038143Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate #Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate, 98%
Database identifiers
- CAS
21855-46-9- PubChem CID
- 288536
- DTXSID
DTXSID90302227- EC Number
- 621-913-6
- Nikkaji
- J596.897F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 138 · 138-142 °C(lit.)
- Boiling point
- 323.1 · 323.1±37.0 °C(Predicted)
- Density
- 1.869 · 1.869±0.06 g/cm3(Predicted)
- pka
- 5.21 · 5.21±0.33(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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 39 reports by companies from 2 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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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