Methyl 3,5-dichloro-4-hydroxybenzoate hydrate (1:1)

Basic Information

Methyl 3,5-dichloro-4-hydroxybenzoate hydrate (1:1)

CAS Number

287399-19-3

Molecular Formula

C8H8Cl2O4

Molecular Weight

239.054 g/mol

Quick Actions

Basic Physical Properties

Melting Point

123-125 °C (lit.)

Boiling Point

384.8°C at 760 mmHg

Flash Point

186.5°C

SMILES

COC(=O)C1=CC(=C(C(=C1)Cl)O)Cl.O

InChI

InChI=1S/C8H6Cl2O3.H2O/c1-13-8(12)4-2-5(9)7(11)6(10)3-4;/h2-3,11H,1H3;1H2

InChIKey

SOMZWYJMFUVNBN-UHFFFAOYSA-N

LogP

1.6609000000000003

Topological Polar Surface Area

78.03 Ų

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

186

Classification & Uses

Chemical Classification

Pharmaceutical Products
APIs & Intermediates
Intermediates

Safety Information

Hazard Statement

H315-H319-H335

Synonyms & References

English

  • methyl 3,5-dichloro-4-hydroxybenzoate;hydrate
  • 287399-19-3
  • 207511-20-4
  • Methyl 3,5-dichloro-4-hydroxybenzoate hydrate, 99%
  • DTXSID40583645
  • EN300-68907
  • Methyl 3,5-dichloro-4-hydroxybenzoate--water (1/1)
  • Methyl 3,5-dichloro-4-hydroxybenzoate hydrate
  • METHYL 3 5-DICHLORO-4-HYDROXYBENZOATE
  • C8H8Cl2O4
  • CS-0347209
  • FT-0628839
  • AKOS000986911
  • SCHEMBL7957219
  • Benzoic acid,3,5-dichloro-4-hydroxy-, methyl ester, hydrate (1:1)
  • METHYL 3,5-DICHLORO-4-HYDROXYBENZOATE MONOHYDRATE
  • methyl 3,5-dichloro-4-hydroxybenzoate,hydrate
  • T536

MDL_Number

MFCD00150271

CAS Number

287399-19-3

Customs_Code

2918290000

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