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2-(Difluoromethoxy)benzaldehyde

2-(Difluoromethoxy)benzaldehyde structure

2-(Difluoromethoxy)benzaldehyde 

structure
  • CAS No:

    71653-64-0

  • Formula:

    C8H6F2O2

  • Chemical Name:

    2-(Difluoromethoxy)benzaldehyde

  • Synonyms:

    Benzaldehyde,2-(difluoromethoxy)-;2-(Difluoromethoxy)benzaldehyde;o-(Difluoromethoxy)benzaldehyde

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

2-(Difluoromethoxy)benzaldehyde Basic Attributes

172.13

172.13

389068

266-534-3

2913000090

Characteristics

26.3

2.6

1.3 g/mL at 25 °C(lit.)

94-96 °C @ Press: 10 Torr

224 °F

n20/D 1.497(lit.)

Miscible with 2-propanol and acetic acid.

Safety Information

IRRITANT

NONH for all modes of transport

3

20/21/22-36/38-36/37/38

26-36-37/39-37

CU5615600

Xi

Irritant

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, P501

H302

|Warning|H302 (12.5%): 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|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-(Difluoromethoxy)benzaldehyde Use and Manufacturing

Intermediate 15: tert-butyl 2-(difluoromethoxy)-5-nitrobenzyl(methyl)carbamate; Intermediate 15A:; To a mixture of nitric acid (1.6 mL, 35.8 mmol) and sulfuric acid (8 mL, 150 mmol) at 0 0C, was added To a solution of

Computed Properties

Molecular Weight:172.13
XLogP3:2.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:172.03358575
Monoisotopic Mass:172.03358575
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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