Crufomate

CAS Registry Number®

299-86-5
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CAS Name

Crufomate

Molecular Formula

C12H19ClNO3P

Molecular Mass

291.71

Cite this Page

Crufomate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=299-86-5 (retrieved 2024-04-20) (CAS RN: 299-86-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    117-118 °C @ Press: 0.01 Torr

  • Melting Point (1)

    60-60.5 °C

  • Density (1)

    1.1618 g/cm³ @ Temp: 70 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)

InChIKey

InChIKey=BOFHKBLZOYVHSI-UHFFFAOYSA-N

SMILES

O(P(NC)(OC)=O)C1=C(Cl)C=C(C(C)(C)C)C=C1

Canonical SMILES

O=P(OC1=CC=C(C=C1Cl)C(C)(C)C)(OC)NC

Other Names for this Substance

  • Phosphoramidic acid, N-methyl-, 2-chloro-4-(1,1-dimethylethyl)phenyl methyl ester
  • Phosphoramidic acid, methyl-, 4-tert-butyl-2-chlorophenyl methyl ester
  • Phosphoramidic acid, methyl-, 2-chloro-4-(1,1-dimethylethyl)phenyl methyl ester
  • Dowco 132
  • 4-tert-Butyl-2-chlorophenyl methyl N-methylphosphoramidate

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Deleted or Replaced CAS Registry Numbers

12676-14-1, 150402-57-6

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