N'-(4-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide hydrochloride

• ChemBase ID: 156264
• Molecular Formular: C10H14Cl2N2
• Molecular Mass: 233.13756
• Monoisotopic Mass: 232.05340382
• SMILES: Cc1cc(ccc1/N=C/N(C)C)Cl.Cl
• Canonical SMILES: CN(/C=N/c1ccc(cc1C)Cl)C.Cl
• InChI: InChI=1S/C10H13ClN2.ClH/c1-8-6-9(11)4-5-10(8)12-7-13(2)3;/h4-7H,1-3H3;1H
• InChIKey: WZFNZVJGDCKNME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(4-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide hydrochloride
• IUPAC Traditional name: chlordimeform hydrochloride
• Synonyms: Chlorodimeform hydrochloride; Chlorophenamidine hydrochloride; Chlordimeform hydrochloride; 杀螨脒 盐酸盐; 氯苯脒 盐酸盐; 杀虫脒 盐酸盐

Database IDs

• CAS Number: 19750-95-9
• EC Number: 243-269-1
• MDL Number: MFCD00055561
• PubChem SID: 162250402
• PubChem CID: 12336279

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9175386
• LogD (pH = 7.4): 1.1264143
• Log P: 2.6969898
• Molar Refractivity: 58.7584 cm^3
• Polarizability: 21.318016 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: LQ4550000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-40-50/53
• Safety Statements: 22-36/37-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H351-H410
• GHS Precautionary statements: P273-P281-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
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C10H13ClN2 · HCl

DETAILS

Sigma Aldrich - 35914

Legal Information
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