CAS 1007536-67-5|3-(3,4-Dichlorophenyl)-1,1-bis[(2H3)methyl]urea

Introduction:Basic information about CAS 1007536-67-5|3-(3,4-Dichlorophenyl)-1,1-bis[(2H3)methyl]urea, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3-(3,4-Dichlorophenyl)-1,1-bis[(2H3)methyl]urea
CAS Number1007536-67-5Molecular Weight239.13
Density1.4±0.1 g/cm3Boiling Point385.2±42.0 °C at 760 mmHg
Molecular FormulaC9H4D6Cl2N2OMelting Point147-150?C
MSDSUSAFlash Point186.7±27.9 °C
Symbol
GHS07, GHS08, GHS09
Signal WordWarning

Names

Name3-(3,4-dichlorophenyl)-1,1-bis(trideuteriomethyl)urea
SynonymMore Synonyms

BiologicalActivity

DescriptionDiuron-d6 is the deuterium labeled Adamantane[1].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
In VitroStable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[75].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-223.

Chemical & Physical Properties

Density1.4±0.1 g/cm3
Boiling Point385.2±42.0 °C at 760 mmHg
Melting Point147-150?C
Molecular FormulaC9H4D6Cl2N2O
Molecular Weight239.13
Flash Point186.7±27.9 °C
Exact Mass238.054672
PSA35.83000
LogP2.78
Vapour Pressure0.0±0.9 mmHg at 25°C
Index of Refraction1.606
InChIKeyXMTQQYYKAHVGBJ-WFGJKAKNSA-N
SMILESCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
Storage conditionRefrigerator

Safety Information

Symbol
GHS07, GHS08, GHS09
Signal WordWarning
Hazard StatementsH302-H351-H373-H410
Precautionary StatementsP260-P280-P301 + P312 + P330
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXn,N
Risk Phrases22-40-48/22-50/53
Safety Phrases13-22-23-37-46-60-61-36/37
RIDADRUN 3077 9/PG 3

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Synonyms

Urea, N'-(3,4-dichlorophenyl)-N,N-dimethyl-d-
3-(3,4-Dichlorophenyl)-1,1-dimethylurea-d6
Diuron-d6
3-(3,4-Dichlorophenyl)-1,1-bis[(H)methyl]urea
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