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Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate

Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate structure

CAS No:
104776-74-1
Formula:
C8H8BrNO4
Chemical Name:
Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate
Synonyms:
ethyl 5-(2-bromoacetyl)-1,2-oxazole-3-carboxylate;

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Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate Basic Attributes

Molecular Weight：

262.05700

Exact Mass：

260.96367

DSSTox ID：

DTXSID10371314

HScode：

2934999090

Characteristics

PSA：

69.40000

XLogP3：

1.42890

Density：

1.592g/cm3

Melting Point：

71ºC

Boiling Point：

374.2ºC at 760mmHg

Flash Point：

180.1ºC

Refractive Index：

1.529

Vapor Pressure：

8.52E-06mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

Marks：

GHS Classification：

|Danger|H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:262.06
XLogP3:1.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:260.96367
Monoisotopic Mass:260.96367
Topological Polar Surface Area:69.4
Heavy Atom Count:14
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 5-(2-bromoacetyl)isoxazole-3-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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