Basic information
- CAS
29091-21-2- Standard SMILES
CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]- InChIKey
RSVPPPHXAASNOL-UHFFFAOYSA-N- Molecular formula
- C13H17F3N4O4
- Average molar mass
- 350.29 g/mol
- Monoisotopic mass
- 350.12018952
Names & identifiers
- Preferred name
- Prodiamine
- IUPAC
- 2,4-dinitro-3-N,3-N-dipropyl-6-(trifluoromethyl)benzene-1,3-diamine
- English name
- Prodiamine
- Molecular formula
- C13H17F3N4O4
- Molecular weight
- 350.29
Names & synonyms
Prodiamine29091-21-2Prodiamine [ISO]DTXSID1034210IJI5J414Q62,4-Dinitro-N',N'-dipropyl-6-(trifluoromethyl)benzene-1,3-diaminePRODIAMINE [MI]PRO-MATE BARRICADEDTXCID90142102,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine1,3-Benzenediamine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-
Show more names
MarathonBARRICADEBarricade(tm)65%Procymidone
RefChem:8685515-dipropylamino-alpha-,alpha-,alpha--trifluoro-4,6-dinitro-o-toluidine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamineRydexBlockadeUSB-3153CN-11-2936EnduranceKusablock
Database identifiers
- CAS
29091-21-2- PubChem CID
- 34469
- DTXSID
DTXSID1034210- ChEMBL
CHEMBL1223140- ChEBI
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 446
Experimental & physicochemical properties
Kovats Retention Index1952；1941
Collision Cross Section171.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1034210]
Physicochemical properties
- Melting point
- 124 · 124-125°
- Boiling point
- 433 · 433.0±45.0 °C(Predicted)
- Density
- 1.47 · 1.4700
- Flash point
- -18 °C · -18 °C
- storage temp.
- 0 · 0-6°C
- pka
- -1.4 · -1.40±0.50(Predicted)
- BRN
- 2494213 · 2494213
- Henry's Law Constant
- 1.3 · 1.3×100 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- CAS DataBase Reference
- 29091 · 29091-21-2(CAS DataBase Reference)
- FDA UNII
- 5 J414Q6 · IJI5J414Q6
Safety & regulation
GHS classification
GHS Classification
Warning
H332 (58.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P271, P273, P304+P340, P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 67 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationProdiamine is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Other Safety InformationIMAP assessments - 1,3-Benzenediamine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-: Human health tier I assessment；IMAP assessments - 1,3-Benzenediamine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (58.2%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values
Chemistry & industry
Uses & manufacturing
UsesProdiamine is used to control annual grasses and broad-leaved weeds in ornamentals, hardwood crops, turf and on non-cropped land.
Household ProductsInformation on 6 consumer products that contain Prodiamine in the following categories is provided:；• Pesticides
Use ClassificationHerbicides
General Manufacturing Information1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-: ACTIVE
Applications
UsesHerbicide.
Upstream & downstream products
Upstream raw materials
Suppliers55 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
10 records
Compound notes
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