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Oxazole-2-carbaldehyde

Oxazole-2-carbaldehyde structure

CAS No:
65373-52-6
Formula:
C4H3NO2
Chemical Name:
Oxazole-2-carbaldehyde
Synonyms:
1,3-Oxazole-2-carboxaldehyde;1,3-oxazole-2-carbaldehyde;RARECHEM AK ML 0184;OXAZOLE-2-CARBALDEHYDE;2-OXAZOLECARBOXALDEHYDE;2-Oxazolecarboxaldehyde (9CI)
Categories:
Organic Chemistry > Aldehydes

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Oxazole-2-carbaldehyde Basic Attributes

Molecular Weight：

97.07

Exact Mass：

97.016380

DSSTox ID：

DTXSID20564013

HScode：

2934999090

Characteristics

PSA：

43.1

XLogP3：

0.1

Density：

1.3±0.1 g/cm3

Boiling Point：

182.546°C at 760 mmHg

Flash Point：

64.2±22.6 °C

Refractive Index：

1.519

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Xi,F

Precautionary statement(s)：

P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H227

GHS Classification：

|Warning|H227 (33.33%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Oxazole-2-carbaldehyde Use and Manufacturing

At -78 °C, a solution of F-1 (800mg, 11.58mmol) in THF was treated with 1.6 M solution of n-BuLi in hexanes (7.2 mL, 11.58 mmol). The reaction was stirred for 1 hour, and then a solution of DMF (0.89 mmol, 1 1.58mmol) in THF (8 mL) was added. The reaction was warmed to room temperature and stirred overnight. The reaction mixture was treated with MeOH, filtered through Dowex 50W x 8-200 resin (H

Computed Properties

Molecular Weight:97.07
XLogP3:0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:97.016378338
Monoisotopic Mass:97.016378338
Topological Polar Surface Area:43.1
Heavy Atom Count:7
Complexity:74.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes