Basic information
- CAS
3397-62-4- Standard SMILES
Nc1nc(N)nc(Cl)n1- InChIKey
FVFVNNKYKYZTJU-UHFFFAOYSA-N- Molecular formula
- C3H4ClN5
- Average molar mass
- 145.55 g/mol
- Monoisotopic mass
- 145.01552281
Overview
2,4‑diamino‑6‑chloro-s-triazine (DACT) can cause developmental toxicity and female reproductive toxicity according to The Environmental Protection Agency (EPA).
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 6-chloro-
- IUPAC
- 6-chloro-1,3,5-triazine-2,4-diamine
- English name
- 2-Chloro-4,6-diamino-1,3,5-triazine
- Molecular formula
- C3H4ClN5
- Molecular weight
- 145.55
Names & synonyms
3397-62-46-Chloro-1,3,5-triazine-2,4-diamine2-Chloro-4,6-diamino-1,3,5-triazine2,4-Diamino-6-chloro-1,3,5-triazine2-CHLORO-4,6-DIAMINO-S-TRIAZINE2-Chloro-4,6-diaminotriazineChloroammelineAtraMod1,3,5-Triazine-2,4-diamine, 6-chloro-DideethylsimazineDeethyldeisopropylatrazine2,4-Diamino-6-chloro-s-triazine
Show more names
ATRAZINE-DESETHYL-DESISOPROPYLDACTATRAZIN-DESETHYL-DESISOPROPYLg 28273NSC 7965AI320106Ent 50982
s-Triazine, 2,4-diamino-6-chloro-DesethyldesisopropylatrazineDTXSID1037806KVZ1HMR84L2-CAAT6-Chloro-2,4-diamino-1,3,5-triazineNSC-7965ENT-50982
Database identifiers
- CAS
3397-62-4- PubChem CID
- 18831
- DTXSID
DTXSID1037806
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.2
Experimental & physicochemical properties
PesticidesPesticide degradation product
LogP0.11
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 320 °C · >320 °C (lit.)
- Boiling point
- 237.97 °C · 237.97°C (rough estimate)
- Density
- 1.7 · 1.700
- refractive index
- 1.611 · 1.6110 (estimate)
- Flash point
- 11 °C · 11 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- powder
- pka
- 3.9 · 3.90±0.10(Predicted)
- color
- White to Light Yellow
- BRN
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 34 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Hazard Traits - Developmental Toxicity; Reproductive Toxicity
Commission Regulation (EC) No 33/2008
Diaminochlorotriazine (DACT) is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxicology
RAIS Toxicity Values
0.01
OPP
0.0018
OPP
USGS Health-Based Screening Levels for Evaluating Water-Quality
Desethyl desisopropyl atrazine
68547
Pesticide degradation product
11
Listed as diaminochlorotriazine (DACT); chlorinate metabolites of atrazine CASRN 1912249, propazine CASRN 139402, and simazine CASRN 122349
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
EPA Human Health Benchmarks for Pesticides
Diaminochlorotriazine (DACT)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Triazine-2,4-diamine, 6-chloro-: ACTIVE
Applications
UsesAtrazine-desethyl-desisopropyl may be used as an analytical reference standard for the quantification of the analyte in environmental samples using different chromatography techniques
UsesDesethyldesisopropyl Atrazine is a metabolite of Atrazine (A794600).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
55 records
Compound notes
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