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Brodifacoum

CAS 80449-88-3C31H23BrO3MW 523.4

Brodifacoum (CAS 80449-88-3) — formula C31H23BrO3, molecular weight 523.4.

Product Overview

CAS Number80449-88-3
Molecular FormulaC31H23BrO3
Molecular Weight523.4
Melting Point232 °C (Decomp) (98.7 % purity)
LogP7.6

Technical Profile

What this product is

Brodifacoum is a chemical compound with CAS registry number 80449-88-3 and molecular formula C31H23BrO3 (molecular weight 523.4).

Identification

CAS number: 80449-88-3

Its molecular formula C31H23BrO3 comprises 31 C, 23 H, 1 Br, 3 O atoms.

Also known as: Brodifacoum · 溴鼠灵

Frequently Asked Questions

What is the CAS number of Brodifacoum?

The CAS registry number of Brodifacoum is 80449-88-3.

What is the molecular formula and molecular weight of Brodifacoum?

Molecular formula C31H23BrO3, molecular weight 523.4.

What other names is Brodifacoum known by?

It is also registered under: Brodifacoum, 溴鼠灵.

PubChem Public Data

Independent reference data for Brodifacoum (CAS 80449-88-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number80449-88-3
PubChem CID54680676
Molecular formulaC31H23BrO3
IUPAC name3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one
UNII (FDA)A25P3CP5S7

Computed descriptors

Molecular Weight523.4
XLogP37.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass522.08306
Monoisotopic Mass522.08306
Topological Polar Surface Area46.5
Heavy Atom Count35

Physicochemical values on record

Melting Point232 °C (Decomp) (98.7 % purity)
Melting PointMP: 230 °C
Density1.4 g/cc at 25 °C (92.5% w/w)

Documented uses on record

    Used as an indirect, anticoagulant rodenticide (prevents Vitamin K activation); [INCHEM]... A rodent control agent for use against commensal rats and mice only.

    Synonyms and trade names

    BRODIFACOUM; 56073-10-0; Bromfenacoum; Klerat; Talon; Volid; Brodifakum; Talon rodenticide; Super warfarin; Brodimat; PP 581; A25P3CP5S7; 2H-1-Benzopyran-2-one, 3-(3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-; DTXSID5032529; 3-(3-(4'-Bromobiphenyl-4-yl)-1,2,3,4-tetrahydronaphth-1-yl)-4-hydroxycoumarin; WBA-8119

    GHS hazard classification

    Reported hazard statementsH300, H310, H330, H372, H400, H410, H317 (11.6%), H360 (55.8%)

    H300: Fatal if swallowed [Danger Acute toxicity, oral]

    H310: Fatal in contact with skin [Danger Acute toxicity, dermal]

    What the public record says

    Brodifacoum · CAS 80449-88-3 · C31H23BrO3. UNII A25P3CP5S7. Melting Point: 232 °C (Decomp) (98.7 % purity); Melting Point: MP: 230 °C; Density: 1.4 g/cc at 25 °C (92.5% w/w).

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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