Alachlor-d13

Base Information

• Chemical Name: Alachlor-d13
• CAS No.: 1015856-63-9
• Molecular Formula: C14H7ClD13NO2
• Molecular Weight: 282.85
• European Community (EC) Number: 688-237-1
• DSSTox Substance ID: DTXSID80583583
• Wikidata: Q82475165
• Mol file: 1015856-63-9.mol

Synonyms:Alachlor-d13;1015856-63-9;Acetamide, 2-chloro-N-[2,6-di(ethyl-1,1,2,2,2-d5)phenyl-3,4,5-d3]-N-(methoxymethyl)-;2-chloro-N-(methoxymethyl)-N-[3,4,5-trideuterio-2,6-bis(1,1,2,2,2-pentadeuterioethyl)phenyl]acetamide;Alachlor D13 (2,6-diethylphenyl D13);2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide-d13;DTXSID80583583;Alachlor D13 (2,6-diethylphenyl D13) 100 microg/mL in Acetone;AKOS025310876;F90444;Alachlor-d13, PESTANAL(R), analytical standard;J-000448;N-{2,6-bis[(1,1,2,2,2-?H?)ethyl](3,4,5-?H?)phenyl}-2-chloro-N-(methoxymethyl)acetamide

Chemical Property of Alachlor-d13

Chemical Property:

• Appearance/Colour: crystalline solid
• Melting Point: 40-41 °C
• Boiling Point: 404 °C at 760 mmHg
• Flash Point: 198.1 °C
• PSA: 29.54000
• Density: 1.173 g/cm³
• LogP: 2.98710
• Storage Temp.: Refrigerator
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 282.1998543
• Heavy Atom Count: 18
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

Alachlor-d13 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N
• Hazard Codes: Xn,N
• Statements: 22-40-43-50/53
• Safety Statements: 36/37-46-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])C([2H])([2H])[2H])N(COC)C(=O)CCl)C([2H])([2H])C([2H])([2H])[2H])[2H]
• Uses: Labelled Alachlor (A450800). Pre-emergence herbicide.