Pyribenzoxim

HCID 178117

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Basic information

CAS: 168088-61-7
Standard SMILES: COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)ON=C(c2ccccc2)c2ccccc2)n1
InChIKey: OVXMBIVWNJDDSM-UHFFFAOYSA-N
Molecular formula: C32H27N5O8
Average molar mass: 609.6 g/mol
Monoisotopic mass: 609.18596282

Overview

structure in first source

Names & identifiers

Preferred name: Pyribenzoxim
IUPAC: (benzhydrylideneamino) 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate
English name: Pyribenzoxim
Molecular formula: C32H27N5O8
Molecular weight: 609.59

Names & synonyms

Pyribenzoxim168088-61-7PyanchorLGC-40863KILJABI GOLDVBD478968PDTXSID2057996benzophenone O-(2,6-bis(4,6-dimethoxypyrimidin-2-yloxy)benzoyl)oximeRefChem:177545DTXCID0031764Benzophenone O-(2,6-bis((4,6-dimethoxypyrimidin-2-yl)oxy)benzoyl) oxime(benzhydrylideneamino) 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate

Show more names

LGC 40863Pyribonzoxim10%Pyribenzoximpyribenzoxim 95%PyribenzoxiM(Pyanchor)C16624000 PyribenzoximPyrimidine oxime etherPyribenzoxim 168088-61-7

Methanone, diphenyl-, O-[2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoyl]oximeMFCD09751192(diphenylmethylidene)amino 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoatePyribenzoxim [ISO:BSI]UNII-VBD478968PC32H27N5O8PYRIBENZOXIM [ISO]SCHEMBL118872

Database identifiers

CAS: 168088-61-7
PubChem CID: 178117
DTXSID: DTXSID2057996
UNII: VBD478968P
EC Number: 605-503-4
Nikkaji: J884.205A

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 146 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 13
Rotatable bonds: 13
Heavy atoms: 45
Formal charge: 0
Complexity: 849

Physicochemical properties

Melting point: 129 °C · 129 °C
Boiling point: 810.8 · 810.8±75.0 °C(Predicted)
Density: 1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
form: Solid
pka: -0.02 · -0.02±0.30(Predicted)
color: White to Off-White
FDA UNII: 478968 P · VBD478968P
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332
Precautionary statements: 261 · P261-P271-P304+P340-P312

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P271, P304+P340, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H332
Precautionary statements: P261-P271-P304+P340-P312

Chemistry & industry

Applications · 2 items

DescriptionPyribenzoxim is a post-emergence herbicide. It has a low aqueous solubility and is volatile. Whilst data is sparse it indicates that the chemical is not persistent in soil systems. It has a low mammalian toxicity and is a recognised irritant. It is moderately toxic to birds, fish and honeybees.

UsesPyribenzoxim can be used in biological study of production of acetolactate synthase inhibitor herbicide tolerant Brassica napus mutants.