Basic information
- CAS
2641-89-6- Standard SMILES
Oc1c(Br)c(Br)c(O)c(Br)c1Br- InChIKey
DTFQULSULHRJOA-UHFFFAOYSA-N- Molecular formula
- C6H2Br4O2
- Average molar mass
- 425.69 g/mol
- Monoisotopic mass
- 421.67883
Overview
isolated as a luminous substance from Ptychodera flava; structure in first source
Names & identifiers
- Preferred name
- 2,3,5,6-Tetrabromo-1,4-benzenediol
- IUPAC
- 2,3,5,6-tetrabromobenzene-1,4-diol
- English name
- Tetrabromohydroquinone
- Molecular formula
- C6H2Br4O2
- Molecular weight
- 425.69
Names & synonyms
2641-89-62,3,5,6-TetrabromohydroquinoneDTXSID508709922,3,5,6-tetrabromo-1,4-benzenediolRefChem:441763DTXCID60818668220-142-9Tetrabromohydroquinone2,3,5,6-tetrabromobenzene-1,4-diol1,4-Benzenediol, 2,3,5,6-tetrabromo-tetrabromobenzene-1,4-diolMFCD00013970
Show more names
Tetrabromohydroquinone,98+%2,3,5,6-Tetrabromohydroquinone,98%2,3,5,6-TETRABROMOHYDROQUINONE 98%
EINECS 220-142-9Tetrabromohydroquinone, 98%SCHEMBL48572NSC508878NSC-5088781,2,4,5-Tetrabromo-3,6-dihydroxybenzeneQ1402834Tetrabromoquinol
Database identifiers
- CAS
2641-89-6- PubChem CID
- 75840
- DTXSID
DTXSID50870992- EC Number
- 220-142-9
- Nikkaji
- J192.165G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 252 · 252-255 °C(lit.)
- Boiling point
- 304.4 · 304.4±37.0 °C(Predicted)
- Density
- 3.023 · 3.0230
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 5.41 · 5.41±0.33(Predicted)
- Appearance
- Off-white to light brown Solid
- BRN
- 2051546 · 2051546
- InChI
- InChI=1S/C6H2Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H
- InChIKey
- DTFQULSULHRJOA-UHFFFAOYSA-N
- SMILES
- C1(O)=C(Br)C(Br)=C(O)C(Br)=C1Br
- CAS DataBase Reference
- 2641 · 2641-89-6(CAS DataBase Reference)
- 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 44 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
- wgk
- 3
- hs_code
- 29089990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers66 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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