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Home > Encyclopedia > 3,4-Dichlorobenzenemethanol

3,4-Dichlorobenzenemethanol

3,4-Dichlorobenzenemethanol structure

3,4-Dichlorobenzenemethanol 

structure
  • CAS No:

    1805-32-9

  • Formula:

    C7H6Cl2O

  • Chemical Name:

    3,4-Dichlorobenzenemethanol

  • Synonyms:

    Benzenemethanol,3,4-dichloro-;Benzyl alcohol,3,4-dichloro-;3,4-Dichlorobenzenemethanol;3,4-Dichlorobenzyl alcohol;(3,4-Dichlorophenyl)methanol;NSC 26136;NSC 407829

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

WHITE LOW MELTING SOLID

3,4-Dichlorobenzenemethanol Basic Attributes

177.024

177.03

217-299-0

G2EM844U91

407829|26136

DTXSID70170966

29062900

Characteristics

20.2

2.7

white crystal

1.2970 (rough estimate)

36 °C

149.5 °C

>110°C

1.5570 (estimate)

0.01 M

2-8ºC

0.00321mmHg at 25°C

Safety Information

III

6.1

UN 2811 6.1/PG 3

3

R21/22

27-28-36/37/39-45-36/37-61-26

T,Xi,Xn,N

Stable at room temperature in closed containers under normal storage and handling conditions.

P280-P301 + P312 + P330-P305 + P351 + P338 + P310

H302-H315-H318-H335

|Danger|H302 (95.65%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

3.47

3,4-Dichlorobenzenemethanol Use and Manufacturing

General procedure: Aldehyde (1 mmol) was dissolved in 10 ml ofmethanol(ethanol for ketones) and cooled to 0General procedure: To a solution of 3, 4-dimethoxybenzaldehyde (1 g, 6 mmol) in methanol was added NaBH4 (0.27, 7.2 mmol) at 0 °C. The reaction mixture was stirred at room temperature for 4 h, quenched with 3percent aqueous HCl solution, and evaporated to dryness. The residue was extracted with CH2Cl2 and the organic layer was dried with MgSO4. Evaporation of the dried organic layer yielded 0.96g (3, 4-dimethoxyphenyl)methanol (6D0) as a white solid.General procedure: A mixture of the substrate (1 mmol), ionic liquid [Dsim]HSO4 (6.5 mg, ∼0.02 mmol) in methanol (2 mL) was stirred at room temperature. After completion of the reaction (monitored by TLC), solvent was evaporated, water (1 mL) was added to the mixture, and stirred vigorously. Decantation of the mixture gave almost pure product(s). The products were characterized by comparison of their IR and NMR data. The ionic liquid was dried at 65 ◦C under vacuum to remove moisture, and then reused.General procedure: A mixture of the substrate (1 mmol) and the PEG-SANMnanocomposite (8 mg) in methanol (2 mL) was stirred at roomtemperature. After completion of the reaction (monitored byTLC), the catalyst was filtered off and the solvent was evaporatedunder reduced pressure. The crude product was purifiedby column chromatography on silica gel to yield pure alcoholsand phenols.

Computed Properties

Molecular Weight:177.02
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:175.9795702
Monoisotopic Mass:175.9795702
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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