3,6-Dibromophenanthrene-9,10-dione

• CAS: 53348-05-3
• Catalog Number: ACM53348053-2
• Category: Bromine Series
• Molecular Weight: 366.01
• Molecular Formula: C14H6Br2O2
• Synonyms: 3,6-Dibromo-9,10-phenanthrenequinone;3,6-Dibromophenanthrene-9,10-dione;3,6-DibroMo-phenanthrenequ;3,6-Dibromo-9,10-dihydrophenantChemicalbookhrene-9,10-dione;3,6-Dibromo-9,10-phenanthrenedione;3,6-Dibromo-phenanthrenequinoneISO9001:2015REACH;6-Dibromo-phenanthrenequinone
• IUPAC Name: 3,6-dibromophenanthrene-9,10-dione
• Canonical SMILES: C1=CC2=C(C=C1Br)C3=C(C=CC(=C3)Br)C(=O)C2=O
• InChI: InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H
• InChI Key: WPEJBJRFPBMVGJ-UHFFFAOYSA-N
• Boiling Point: 291 °C
• Melting Point: 291 °C
• Density: Air Sensitive
• Appearance: Light yellow to brown powder to crystal
• Storage: Store under inert gas
• Complexity: 346
• Covalently-Bonded Unit Count: 1
• Exact Mass: 365.87141g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 18
• MDL Number: MFCD00451676
• Monoisotopic Mass: 363.87345g/mol
• NSC Number: 87364
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Rotatable Bond Count: 0
• Signal Word: Warning
• XLogP3: 3.9

Custom Q&A

What is the molecular formula of 3,6-Dibromophenanthrene-9,10-dione?

The molecular formula is C14H6Br2O2.

What is the molecular weight of 3,6-Dibromophenanthrene-9,10-dione?

The molecular weight is 366.00 g/mol.

What are the synonyms for 3,6-Dibromophenanthrene-9,10-dione?

The synonyms are 3,6-dibromophenanthrene-9,10-dione, 53348-05-3, 3,6-Dibromo-phenanthrenequinone, 3,6-Dibromo-9,10-phenanthrenequinone, and 3,6-dibromo-phenanthrene-9,10-dione.

What is the IUPAC name of 3,6-Dibromophenanthrene-9,10-dione?

The IUPAC name is 3,6-dibromophenanthrene-9,10-dione.

What is the InChI of 3,6-Dibromophenanthrene-9,10-dione?

The InChI is InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H.

What is the InChIKey of 3,6-Dibromophenanthrene-9,10-dione?

The InChIKey is WPEJBJRFPBMVGJ-UHFFFAOYSA-N.

What is the canonical SMILES of 3,6-Dibromophenanthrene-9,10-dione?

The canonical SMILES is C1=CC2=C(C=C1Br)C3=C(C=CC(=C3)Br)C(=O)C2=O.

What is the CAS number of 3,6-Dibromophenanthrene-9,10-dione?

The CAS number is 53348-05-3.

Is 3,6-Dibromophenanthrene-9,10-dione a canonicalized compound?

Yes, it is a canonicalized compound.