2,5-Cyclohexadien-1-one,2,6-dibromo-4-[(4-hydroxy-3-methylphenyl)imino]-, sodium salt (1:1) supplier

Name
2,6-DIBROMO-3'-METHYLINDOPHENOL SODIUM SALT
EINECS
CAS No. 5418-34-8
Density 1.78g/cm³
Solubility
Melting Point
Formula C₁₃H₉Br₂NNaO₂
Boiling Point 411.8°C at 760 mmHg
Molecular Weight 393.887727
Flash Point 202.9°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indophenol,2,6-dibromo-3'-methyl-, sodium salt (8CI);NSC 10442;
PSA 49.66000
LogP 3.91340

2,5-Cyclohexadien-1-one,2,6-dibromo-4-[(4-hydroxy-3-methylphenyl)imino]-, sodium salt (1:1) Specification

The 2,5-Cyclohexadien-1-one,2,6-dibromo-4-[(4-hydroxy-3-methylphenyl)imino]-, sodium salt (1:1), with the CAS registry number 5418-34-8, is also known as NSC10442. This chemical's molecular formula is C₁₃H₉Br₂NNaO₂ and molecular weight is 393.887727. Its IUPAC name is called sodium 4-(3,5-dibromo-4-hydroxyphenyl)imino-2-methylcyclohexa-2,5-dien-1-one.

Physical properties of 2,5-Cyclohexadien-1-one,2,6-dibromo-4-[(4-hydroxy-3-methylphenyl)imino]-, sodium salt (1:1): (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 3; (3)Rotatable Bond Count: 1; (4)Tautomer Count: 2; (5)Exact Mass: 393.887727; (6)MonoIsotopic Mass: 391.889773; (7)Topological Polar Surface Area: 49.7; (8)Heavy Atom Count: 19; (9)Formal Charge: 1; (10)Complexity: 430; (11)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=NC2=CC(=C(C(=C2)Br)O)Br)C=CC1=O.[Na+]
(2)InChI: InChI=1S/C13H9Br2NO2.Na/c1-7-4-8(2-3-12(7)17)16-9-5-10(14)13(18)11(15)6-9;/h2-6,18H,1H3;/q;+1
(3)InChIKey: KNQAQWBHNGRCHG-UHFFFAOYSA-N

Product Name

2,6-DIBROMO-3'-METHYLINDOPHENOL SODIUM SALT

2,5-Cyclohexadien-1-one,2,6-dibromo-4-[(4-hydroxy-3-methylphenyl)imino]-, sodium salt (1:1) Specification

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