2,5-Dibromohydroquinone
Basic information
- CAS
14753-51-6- Standard SMILES
Oc1cc(Br)c(O)cc1Br- InChIKey
VALXCIRMSIFPFN-UHFFFAOYSA-N- Molecular formula
- C6H4Br2O2
- Average molar mass
- 267.9 g/mol
- Monoisotopic mass
- 265.8578
Names & identifiers
- Preferred name
- 2,5-Dibromohydroquinone
- IUPAC
- 2,5-dibromobenzene-1,4-diol
- English name
- 2,5-Dibromohydroquinone
- Molecular formula
- C6H4Br2O2
- Molecular weight
- 267.9
Names & synonyms
2,5-DibromohydroquinoneDTXSID90299865RefChem:444245DTXCID50251000629-317-82,5-dibromobenzene-1,4-diol14753-51-61,4-Benzenediol, 2,5-dibromo-MFCD00192664NSC133363SCHEMBL484482,5-Dibromohydroquinone, 97%
Show more names
2,5-dibromo-1,4-hydroquinone2,5-Dibromoquinol2,5-Dibromohydroquine5-DIBROMOHYDROQUINONE2,5-Dibromohydroquinone>2,5-DibroMohydroquinone 97%1,4-Benzenediol,2,5-dibromo-
2,5-Dibromo-benzene-1,4-diol2,5-dibromo-1,4-dihydroxybenzeneAKOS015897203CS-W008047NSC-133363Q2092302,5-Dibromo-1,4-benzenediolAS-19076
Database identifiers
- CAS
14753-51-6- PubChem CID
- 280945
- DTXSID
DTXSID90299865- EC Number
- 629-317-8
- Nikkaji
- J14.717F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Melting point
- 191 · 191-194 °C
- Boiling point
- 283.4 · 283.4±35.0 °C(Predicted)
- Density
- 2.257 · 2.257±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in methanol
- pka
- 7.9 · 7.90±0.23(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C6H4Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H
- InChIKey
- VALXCIRMSIFPFN-UHFFFAOYSA-N
- SMILES
- C1(O)=CC(Br)=C(O)C=C1Br
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29081990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- 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
UsesIt is an important pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
5 records
Compound notes
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