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Indaziflam

Indaziflam structure

CAS No:
950782-86-2
Formula:
C16H20FN5
Chemical Name:
Indaziflam
Synonyms:
1,3,5-Triazine-2,4-diamine,N2-[(1R,2S)-2,3-dihydro-2,6-dimethyl-1H-inden-1-yl]-6-(1-fluoroethyl)-;N2-[(1R,2S)-2,3-Dihydro-2,6-dimethyl-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine;Indaziflam;Specticle 20WSP;Specticle;Marengo;Esplanade;Esplanade 200SC;Esplanade F
Categories:
Agrochemicals > Pesticide Intermediates

Description

Indaziflam is a diastereoisomeric mixture of the two fluoroethyl diastereoisomers of N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine in which the indane moiety has 1R,2S configuration. A cellulose biosynthesis inhibitor, it is used as a pre-emergence herbicide for the control of annual grasses and broad-leaved weeds in citrus, grapes, fruit trees, Christmas tree farms, lawns and sports fields. The two diastereoisomers have very similar biological activity; commercial material is a 95:5 mixture of the (1R,2S,fluoroethyl-R) and (1R,2S,fluoroethyl-S) diastereoisomers. It has a role as a herbicide and a cellulose synthesis inhibitor. It contains a N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine and a N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine.

Indaziflam Basic Attributes

Molecular Weight：

301.36200

Exact Mass：

301.36

DSSTox ID：

DTXSID0058223

Characteristics

PSA：

80.68000

XLogP3：

2.49010

Density：

1.252g/cm3

Boiling Point：

513ºC

Flash Point：

264.1ºC

Refractive Index：

1.627

Collision Cross Section：

169.27 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|174.6 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|180.67 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|180 Å² [M-H]-

Safety Information

GHS Classification：

|Warning|H373 (11.19%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]|P260, P273, P314, P391, and P501|Aggregated GHS information provided by 143 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

indaziflam

Indaziflam Use and Manufacturing

Use Classification：

Agrochemicals -> Herbicides

Computed Properties

Molecular Weight:301.36
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:301.17027382
Monoisotopic Mass:301.17027382
Topological Polar Surface Area:76.7
Heavy Atom Count:22
Complexity:382
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes