溴丙酯

Description

Bromopropylate · CAS 18181-80-1 · C17H16Br2O3. UNII 3U468ZM257. Melting Point: 77 °C; Solubility: In water, 0.1 mg/L at 20 °C; Density: 1.49 g/cu cm at 20 °C.

Identification

CAS Registry Number	18181-80-1
PubChem CID	28936
Molecular formula	C17H16Br2O3
IUPAC name	propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
UNII (FDA)	3U468ZM257

Computed Descriptors

Molecular Weight	428.1
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	427.94457
Monoisotopic Mass	425.94662
Topological Polar Surface Area	46.5
Heavy Atom Count	22
Formal Charge	0

Physical & Chemical Properties

Melting Point	77 °C
Solubility	In water, 0.1 mg/L at 20 °C
Density	1.49 g/cu cm at 20 °C
Vapor Pressure	0.00000005 [mmHg]
LogP	log Kow = 5.40
LogP	5.4
Collision Cross Section	176.6 Ų [M+H]+

Physical description & handling notes

• Solid; [Merck Index] White solid; [HSDB] Colorless solid; [MSDSonline]
• White crystalline solid
• Solubility in acetone 850, dichloromethane 970, dioxane 870, benzene 750, methanol 280, xylene 730, isopropanol 90 (all in g/kg, 20 °C)
• Readily soluble in most organic solvents
• 8.2X10-8 mm Hg at 20 °C /Estimated/
• Henry's Law constant = 4.6X10-7 atm cu m/mol at 25 °C /Estimated/

GHS Hazard Classification

Reported hazard statements	H315 (61.8%), H400 (38.2%), H410 (38.2%)

Documented Uses

• Used as an acaricide for control of a wide variety of mites on citrus and deciduous fruit; Not currently registered with the EPA for use in the US; [HSDB]
• Controls a wide variety of mites on citrus and deciduous fruit.
• Bromopropylate is produced by esterification of 4,4'-dibromobenzilic acid with 2-propanol.
• Preparation FR 1504969; K Gubler, US 3639446 (1967, 1972 to Geigy).
• It was introduced in 1966 by JR Geigy SA (now Ciba-Geigy AG) as exptl acaricide under code number 'gs 19851', trade marks 'Neoron' & 'Acarol' & protection of Belgian patent 691105; Swiss patent 471065. It was described by H Grob et al, Abstr Int Plant Prot Congr, 6th, 1967, page 198.
• Contact acaricide having considerable residual action. Effective against mites which have developed resistance to certain other acaricides. Recommended on pome & stone fruit, citrus, hops, strawberries, cucumbers, melons, beans, tomatoes, cotton and ornamentals at 37.5 to 60 g ai/100 L; field crops 500 to 1000 g ai/ha.

Synonyms

Bromopropylate; 18181-80-1; ACAROL; Neoron; Folbex VA; Isopropyl 4,4'-dibromobenzilate; Ascarol 2E; Isopropyl dibromobenzilate; Geigy 19851; Isopropyl bromobenzilate; ENT 27552; Benzilic acid, 4,4'-dibromo-, isopropyl ester; NSC 195087; 4,4'-Dibromobenzilic acid isopropyl ester; 3U468ZM257; DTXSID1034397

Frequently Asked Questions

What are the CAS number and molecular formula of Bromopropylate?

CAS 18181-80-1; molecular formula C17H16Br2O3; molecular weight — g/mol.

What other names is Bromopropylate known by?

Bromopropylate, 18181-80-1, ACAROL, Neoron, Folbex VA, Isopropyl 4,4'-dibromobenzilate.

Is Bromopropylate classified as hazardous?

Hazard statements reported: H315, H400, H410.

What are the key physical properties of Bromopropylate?

Melting Point: 77 °C; Solubility: In water, 0.1 mg/L at 20 °C; Density: 1.49 g/cu cm at 20 °C; Vapor Pressure: 0.00000005 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.