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Home > Encyclopedia > 2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid

2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid

2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid structure

2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid 

structure
  • CAS No:

    123342-93-8

  • Formula:

    C13H11ClN2O4S

  • Chemical Name:

    2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid

  • Synonyms:

    2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid;Pyrithiobac;Pyrithiobac [iso]

  • Categories:

    Analytical Chemistry  >  Standard

2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid Basic Attributes

326.76

326.01300

3327Q8RB9O

DTXSID3037703

Characteristics

107

2.99660

1.51

148-151 ºC

546.4±60.0 °C(Predicted)

284.3ºC

1.651

8.97E-13mmHg at 25°C

Safety Information

UN 3077 9 / PGIII

3

50/53

60-61

N

P273-P501

H410

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 127 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:326.76
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:326.0128057
Monoisotopic Mass:326.0128057
Topological Polar Surface Area:107
Heavy Atom Count:21
Complexity:351
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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