2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide

• ChemBase ID: 125667
• Molecular Formular: C14H20ClNO2
• Molecular Mass: 269.7671
• Monoisotopic Mass: 269.11825657
• SMILES: CCc1cccc(c1N(COC)C(=O)CCl)CC
• Canonical SMILES: COCN(c1c(CC)cccc1CC)C(=O)CCl
• InChI: InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
• InChIKey: XCSGPAVHZFQHGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
• IUPAC Traditional name: LAZO
• Synonyms: Alachlor; 2-Chloro-2′,6′-diethyl-N-(methoxymethyl)acetanilide; Alachlor; 2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide; 2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide; 2-Chloro-2',6'-diethyl-N-methoxymethylacetanilide; 2',6'-Diethyl-N-(methoxymethyl)-2-chloroacetanilide; Alanex; Alapaz; CP 50144; Intrro; Lasagrin; Lasso; Lasso Microtech; Lazo; Metachlor; Methachlor; Micro-Tech; Nitala; Perfect; Satochlor; Alachlor solution; 2-氯-2′,6′-二乙基-N-(甲氧甲基)乙酰苯胺; 甲草胺; 草不绿 溶液

Database IDs

• CAS Number: 15972-60-8
• EC Number: 240-110-8
• MDL Number: MFCD00041817
• Beilstein Number: 2944476
• PubChem SID: 162220017; 24865711; 24899194; 24871866; 24869440; 24868764
• PubChem CID: 2078
• CHEBI ID: 2533
• Chemspider ID: 1994
• KEGG ID: C10928
• Unique Ingredient Identifier: 24S2S61PXL
• Wikipedia Title: Alachlor

CALCULATED PROPERTIES

• Acid pKa: 16.603388
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5914717
• LogD (pH = 7.4): 3.5914717
• Log P: 3.5914717
• Molar Refractivity: 73.9275 cm^3
• Polarizability: 28.619024 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -.4 °F; -18 °C

Safety Information

• RTECS: AE1225000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 1145; 1230; 3077
• German water hazard class: 1; 2; 3
• Hazard Class: 3; 9
• Packing Group: 2; 3
• Risk Statements: 11-38-50/53-65-67; 22-40-43-50/53; 23/24/25-39/23/24/25-51/53; 23/24/25-39/23/24/25-52/53
• Safety Statements: 16-61-62; 36/37-45-61; 36/37-46-60-61
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H304-H315-H336-H410; H301-H311-H331-H370; H301-H311-H331-H370-H412; H302-H317-H351-H410
• GHS Precautionary statements: P210-P261-P273-P301 + P310-P331-P501; P260-P273-P280-P301 + P310-P311; P260-P280-P301 + P310-P311; P273-P280-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1145 3/PG 2; UN 1230 3/PG 2; UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Concentration: 100 ng/μL in cyclohexane; 1000 μg/mL in methanol; 200 μg/mL in methanol
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1 mL; ampule of 250 mg
• Empirical Formula (Hill Notation): C14H20ClNO2

DETAILS

Sigma Aldrich - 45316

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 45821

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - A450800

Pre-emergence herbicide.

REFERENCES

• Merkle, M.G., et al.: Weed Sci., 19, 652 (1971)