C33301
2-Chloro-4,6-diamino-1,3,5-triazine
95%
Synonym(s):
6-Chloro-2,4-diamino-1,3,5-triazine, Desethyl-desisopropyl-atrazine
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About This Item
Empirical Formula (Hill Notation):
C3H4ClN5
CAS Number:
Molecular Weight:
145.55
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
95%
form
powder
mp
>320 °C (lit.)
SMILES string
Nc1nc(N)nc(Cl)n1
InChI
1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
InChI key
FVFVNNKYKYZTJU-UHFFFAOYSA-N
Gene Information
mouse ... Esr1(13982)
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Joseane M Pozzebon et al.
Journal of chromatography. A, 987(1-2), 375-380 (2003-03-05)
A method was developed to determine simazine, atrazine and their metabolite, 2-chloro-4,6-diamino-1,3,5-triazine, in urine. The presence of these herbicides in urine may reflect possible exposure to pesticides. Sample preparation involved protein precipitation and solid-phase extraction. The samples were analyzed by
Greg P Dooley et al.
Chemical research in toxicology, 19(5), 692-700 (2006-05-16)
Atrazine (2-chloro-4-[ethylamino]-6-[isopropylamino]-1,3,5-triazine) is one of the most commonly used herbicides in North America and is frequently detected in ground and surface waters. This research investigated possible covalent modifications of hemoglobin following in vivo exposures to atrazine in Sprague Dawley (SD)
Jennifer L Seffernick et al.
Applied and environmental microbiology, 68(9), 4672-4675 (2002-08-30)
2-Chloro-4,6-diamino-s-triazine (CAAT) is a metabolite of atrazine biodegradation in soils. Atrazine chlorohydrolase (AtzA) catalyzes the dechlorination of atrazine but is unreactive with CAAT. In this study, melamine deaminase (TriA), which is 98% identical to AtzA, catalyzed deamination of CAAT to
C Ernst et al.
Applied microbiology and biotechnology, 42(5), 763-768 (1995-01-01)
A bacterium utilizing 2-chloro-4,6-diamino-s-triazine (CAAT) as sole nitrogen source was isolated under a N2-free atmosphere and identified as Klebsiella pneumoniae. Concomitant to CAAT degradation the protein content increased and chloride was released into the medium. Under air and a N2-atmosphere
Tami S McMullin et al.
Toxicology, 240(1-2), 1-14 (2007-09-05)
Atrazine (ATRA) is metabolized by cytochrome P450s to the chlorinated metabolites, 2-chloro-4-ethylamino-6-amino-1,3,5-triazine (ETHYL), 2-chloro-4-amino-6-isopropylamino-1, 3, 5-triazine (ISO), and diaminochlorotriazine (DACT). Here, we develop a set of physiologically based pharmacokinetic (PBPK) models that describe the influence of oral absorption and oxidative
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