Basic information
- CAS
7286-69-3- Standard SMILES
CCNc1nc(Cl)nc(NC(C)CC)n1- InChIKey
BZRUVKZGXNSXMB-UHFFFAOYSA-N- Molecular formula
- C9H16ClN5
- Average molar mass
- 229.71 g/mol
- Monoisotopic mass
- 229.1094232
Overview
N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine is a diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. It is a chloro-1,3,5-triazine and a diamino-1,3,5-triazine.
Names & identifiers
- Preferred name
- Sebuthylazine
- IUPAC
- 2-N-butan-2-yl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
- English name
- SEBUTHYLAZINE
- Molecular formula
- C9H16ClN5
- Molecular weight
- 229.71
Names & synonyms
Sebuthylazine7286-69-3Sebuthylazine [ISO]Caswell No. 125AGS 13528GP8E41EOQOEINECS 230-710-8EPA Pesticide Chemical Code 225200SEC-BUTYLAZINEs-Triazine, 2-(sec-butylamino)-4-chloro-6-(ethylamino)-1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylpropyl)-GS-13528
Show more names
SEBUTHYLAZINgs13528Benodanil Impurity 12Sebuthylazin solutionSEBUTHYLAZINE STANDARDsebuthylazine (bsi,iso)C16920000 SebuthylazineSebuthylazin, CAS 7286-69-3Sebuthylazin @100 μg/mL in MeOH
2-(sec-Butylamino)-4-chloro-6-(ethylamino)-s-triazine2-Aethylamino-4-sek.butylamino-6-chlor-1,3,5-triazinDTXSID70581712-Aethylamino-4-sek.butylamino-6-chlor-1,3,5-triazin [German]1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylpropyl)-ETHYLAMINO-SEC-BUTYLAMINOCHLORO-S-TRIAZINE6-(SEC-BUTYLAMINO)-2-CHLORO-4-(ETHYLAMINO)-S-TRIAZINE(RS)-N2-SEC-BUTYL-6-CHLORO-N4-ETHYL-1,3,5-TRIAZINE-2,4-DIAMINE
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
PesticidesPesticides -> Herbicides -> Triazine herbicides -> Chlorotriazine herbicides
LogP3.02
Ionization Efficiency
Positive
3.7
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Physicochemical properties
- Boiling point
- 368.7 °C · 368.7°C (rough estimate)
- Density
- 1.2062 · 1.2062 (rough estimate)
- refractive index
- 1.611 · 1.6110 (estimate)
- Flash point
- 2 °C · 2 °C
- storage temp.
- 4 °C · APPROX 4°C
- pka
- 2.5 · 2.50±0.10(Predicted)
- BRN
- 650331 · 650331
- Henry's Law Constant
- 8.4 · 8.4×102 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- FDA UNII
- 8 E41EOQO · GP8E41EOQO
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- XY4520000
- ridadr
- UN 1648 3/PG 2
- risk_code
- 11-20/21/22-36
- hazard_code
- F,Xn
- safety_code
- 16-26-36
Chemistry & industry
Uses & manufacturing
Use ClassificationPesticides -> Herbicides -> Triazine herbicides -> Chlorotriazine herbicides
General Manufacturing Information1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylpropyl)-: INACTIVE
Suppliers21 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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