2,5-Cyclohexadiene-1,4-dione, 2,5-dibromo-3,6-dihydroxy-

HCID 78078

Notes Reactions

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Basic information

CAS: 4370-59-6
Standard SMILES: O=C1C(O)=C(Br)C(=O)C(O)=C1Br
InChIKey: GMZWPTALVQRAFV-UHFFFAOYSA-N
Molecular formula: C6H2Br2O4
Average molar mass: 297.89 g/mol
Monoisotopic mass: 295.83198

Names & identifiers

Preferred name: 2,5-Cyclohexadiene-1,4-dione, 2,5-dibromo-3,6-dihydroxy-
IUPAC: 2,5-dibromo-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
English name: BROMANILIC ACID
Molecular formula: C6H2Br2O4
Molecular weight: 297.89

Names & synonyms

Bromanilic acid2,5-Cyclohexadiene-1,4-dione, 2,5-dibromo-3,6-dihydroxy-DTXSID1063437RefChem:444174DTXCID2040282678-383-44370-59-62,5-dibromo-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione2,5-Dibromo-3,6-dihydroxyquinoneBromanilicAcid2,5-Dibromo-3,6-dihydroxy-p-benzoquinoneMFCD00058956

Show more names

Bromanilic Acid >2,5-Dibromo-3,6-dihydroxyquinone2,5-DibroMo-3,6-dihydroxy-p-quino2,5-Dihydroxy-3,6-dibromo-p-benzoquinone2,5-Dibromo-3,6-dihydroxybenzo-1,4-quinone

p-Benzoquinone, 2,5-dibromo-3,6-dihydroxy-NSC 36928C6H2Br2O42,5-Dibromo-3,6-dihydroxy-2,5-cyclohexadiene-1,4-dione; 2,5-Dibromo-3,6-dihydroxy-p-benzoquinone; 2,5-Dibromo-3,6-dihydroxyquinone; 2,5-Dihydroxy-3,6-dibromo-1,4-benzoquinone; NSC 36928NSC369282,6-dihydroxyquinone2,5-Dibromo-3,6-dihydroxy-p-quinone2,5-dibromo-3,6-dihydroxy-1,4-benzoquinone

Database identifiers

CAS: 4370-59-6
PubChem CID: 78078
DTXSID: DTXSID1063437

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 305

Physicochemical properties

Melting point: 270 °C · 270 °C
Boiling point: 328.5 · 328.5±42.0 °C(Predicted)
Density: 2.53 g/cm3 · 2.53 g/cm3
storage temp.: Amber Vial, Refrigerator
solubility: DMSO (Slightly), Methanol (Slightly)
pka: 1.34 · 1.34±0.50(Predicted)
form: Solid
color: Orange to Dark Red
Stability: Light Sensitive
EPA Substance Registry System: 2 · 2,5-Cyclohexadiene-1,4-dione, 2,5-dibromo-3,6-dihydroxy- (4370-59-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Risk Statements: 36 · 36/37/38

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
hs_code: 2914.79.4000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2,5-Cyclohexadiene-1,4-dione, 2,5-dibromo-3,6-dihydroxy-: INACTIVE

Applications

UsesA benzoquinone derivative that acts as an electron acceptor in cationic polymerization.

Suppliers38 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

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]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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Compound notes

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