dinitramine

Description

dinitramine · CAS 29091-05-2 · C11H13F3N4O4. UNII XHQ6D15979. Melting Point: 98.0-99.0 °C; Solubility: In water, 1.1 mg/L at 25 °C; Density: 1.5 g/cc at 25 °C.

Identification

CAS Registry Number	29091-05-2
PubChem CID	34468
Molecular formula	C11H13F3N4O4
IUPAC name	3-N,3-N-diethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine
UNII (FDA)	XHQ6D15979

Computed Descriptors

Molecular Weight	322.24
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	322.08888939
Monoisotopic Mass	322.08888939
Topological Polar Surface Area	121
Heavy Atom Count	22
Formal Charge	0

Physical & Chemical Properties

Melting Point	98.0-99.0 °C
Solubility	In water, 1.1 mg/L at 25 °C
Density	1.5 g/cc at 25 °C
Vapor Pressure	0.0000036 [mmHg]
Vapor Pressure	3.6X10-6 mm Hg at 25 °C
LogP	log Kow = 4.30
LogP	4.3

Physical description & handling notes

• Yellow solid; [HSDB]
• Yellow crystals
• In acetone 1040, chloroform 670, benzene 473, xylene 227, ethanol 107, hexane 14 (all in g/L at 20 °C).
• Relatively stable at room temperature; decomposes above 200 °C. Dilute solutions are degraded by UV irradiation.
• Non-corrosive, except to polyvinyl plastic tubing.
• 159.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9040265]

GHS Hazard Classification

Reported hazard statements	H312 (100%), H400 (100%)

Documented Uses

• Used as pre-plant herbicide for control of annual grasses and broad-leaved weeds in cotton, legumes, vegetables, and other crops; [HSDB]
• /SRP: Former use/ selective pre-plant soil incorporated control of many annual grass and broad leaf weeds in cotton, soya beans, groundnuts, peas, beans, safflowers, sunflowers, carrots, turnips, fennel, chickory, and in transported tomatoes, capsicums, aubergines, and brassicas.
• Herbicide; Not registered in US
• Dinitramine is produced by reaction of 2-amino-3,5-dinitro-4-chlorotrifluorotoluene with diethylamine.
• The 2,4-dihalo-3,5-dinitrobenzotrifluoride starting materials are readily prepared by nitration of the 2,4-dihalobenzotrifluoride with a mixture of fuming nitric and fuming sulfuric acids at a temperature below about 80 °C.
• Selective soil-herbicide, absorbed by the roots and shoots, with very little translocation to the stems and leaves, and slightly more to the roots.

Synonyms

DINITRAMINE; 29091-05-2; Cobex; Cobexo; Cobeko; Cobex (herbicide); USB-3584; DTXSID9040265; KOBEX; Usb 3584; XHQ6D15979; N(sup 3),N(sup 3)-Diethyl-2,4-dinitro-6-(trifluoromethyl)-1,3-benzenediamine; DTXCID7020265; 1,3-Benzenediamine, N1,N1-diethyl-2,6-dinitro-4-(trifluoromethyl)-; N(3),N(3)-Diethyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine; RefChem:920360

Frequently Asked Questions

What are the CAS number and molecular formula of dinitramine?

CAS 29091-05-2; molecular formula C11H13F3N4O4; molecular weight — g/mol.

What other names is dinitramine known by?

DINITRAMINE, 29091-05-2, Cobex, Cobexo, Cobeko, Cobex (herbicide).

Is dinitramine classified as hazardous?

Hazard statements reported: H312, H400.

What are the key physical properties of dinitramine?

Melting Point: 98.0-99.0 °C; Solubility: In water, 1.1 mg/L at 25 °C; Density: 1.5 g/cc at 25 °C; Vapor Pressure: 0.0000036 [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.