Grundinformationen
- Standard-SMILES
Nc1nc(N)nc(Cl)n1- InChIKey
FVFVNNKYKYZTJU-UHFFFAOYSA-N- Summenformel
- C3H4ClN5
- Durchschnittliche Molmasse
- 145,55 g/mol
- Monoisotopische Masse
- 145,01552281
Überblick
2,4‑diamino‑6‑chloro-s-triazine (DACT) can cause developmental toxicity and female reproductive toxicity according to The Environmental Protection Agency (EPA).
Namen und Bezeichner
- Bevorzugter Name
- 1,3,5-Triazine-2,4-diamine, 6-chloro-
- IUPAC
- 6-chloro-1,3,5-triazine-2,4-diamine
- Lokaler Name
- 2-Chlor-4,6-diamino-1,3,5-triazin
- Englischer Name
- 2-Chloro-4,6-diamino-1,3,5-triazine
- Summenformel
- C3H4ClN5
- Molmasse
- 145.55
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
3397-62-4- PubChem CID
- 18831
- DTXSID
DTXSID1037806- ChEMBL
CHEMBL1872965- ChEBI
CHEBI:27726- UNII
- KVZ1HMR84L
- EC Number
- 222-260-6
- Nikkaji
- J80.717F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 90,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 88,2
Experimentelle und physikochemische Eigenschaften
PesticidesPesticide degradation product
LogP0.11
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 320 °C · >320 °C (lit.)
- Siedepunkt
- 237.97 °C · 237.97°C (rough estimate)
- Dichte
- 1.7 · 1.700
- Brechungsindex
- 1.611 · 1.6110 (estimate)
- Flammpunkt
- 11 °C · 11 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 3.9 · 3.90±0.10(Predicted)
- Aggregatzustand
- powder
- Farbe
- White to Light Yellow
- BRN
- 124340 · 124340
- InChI
- InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
- InChIKey
- FVFVNNKYKYZTJU-UHFFFAOYSA-N
- SMILES
- N1=C(Cl)N=C(N)N=C1N
- CAS Datenbank
- 3397 · 3397-62-4(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Chloro-4,6-diamino-s-triazine (3397-62-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Toxikologische Informationen
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)
0.01
300
Females 13-49 yrs
0.0018
11
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN1230 3/PG 2
- hs_code
- 29336980
- risk_code
- 36/37/38-20/21/22-39/23/24/25-23/24/25-11
- hazard_code
- Xn,T,F
- safety_code
- 22-24/25-45-36/37-16-7
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1,3,5-Triazine-2,4-diamine, 6-chloro-: ACTIVE
Anwendungen
VerwendenDesethyldesisopropyl Atrazine is a metabolite of Atrazine (A794600).
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