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Home > Encyclopedia > N-Methyl-2-benzothiazolamine

N-Methyl-2-benzothiazolamine

N-Methyl-2-benzothiazolamine structure

N-Methyl-2-benzothiazolamine 

structure
  • CAS No:

    16954-69-1

  • Formula:

    C8H8N2S

  • Chemical Name:

    N-Methyl-2-benzothiazolamine

  • Synonyms:

    2-Benzothiazolamine,N-methyl-;Benzothiazole,2-(methylamino)-;N-Methyl-2-benzothiazolamine;2-(Methylamino)benzothiazole;2-(N-Methylamino)benzothiazole;N-(2-Benzothiazolyl)methylamine;Benzothiazol-2-ylmethylamine

  • Categories:

    Agrochemicals  >  Pesticide Intermediates

N-Methyl-2-benzothiazolamine Basic Attributes

164.22752

164.23

241-025-9

DTXSID40168719

2934200090

Characteristics

53.2

2.41100

1.306±0.06 g/cm3(Predicted)

138 °C

270.1±23.0 °C(Predicted)

117.2ºC

1.73

0.00697mmHg at 25°C

Safety Information

IRRITANT

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

N-Methyl-2-benzothiazolamine Use and Manufacturing

Methods of Manufacturing

The preparation method is to add chloroform into the reactor, then add dry 1-methyl-3-phenylthiourea and stir, the temperature is controlled at 50 ~ 60 ℃, add thionyl chloride to react for 2 h, then cool, and the material Add to water to separate layers, and then desolventize to get finished product. Sulfur chloride can also be used instead of thionyl chloride as a cyclizing agent. In addition, 2-mercaptobenzothiazole can be reacted with Na2S2O5 and CH3NH2, or 2-aminobenzothiazole can be reacted with CH3NH2 in the presence of NaHSO3 to obtain 2-methylaminobenzothiazole.

Uses

2-Methylaminobenzothiazole is an intermediate of the herbicide methylphenathion.

Computed Properties

Molecular Weight:164.23
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:164.04081944
Monoisotopic Mass:164.04081944
Topological Polar Surface Area:53.2
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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