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Isoxazole

Isoxazole structure

CAS No:
288-14-2
Formula:
C3H3NO
Chemical Name:
Isoxazole
Synonyms:
Isoxazole;1-Oxa-2-azacyclopentadiene;1,2-Oxazole;NSC 137774;2-Azafuran
Categories:
Specialty Chemicals

Description

Colorless liquid

Isoxazole is a monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles. It is a mancude organic heteromonocyclic parent, a monocyclic heteroarene and a member of isoxazoles.|Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.

Isoxazole Basic Attributes

Molecular Weight：

69.063

Exact Mass：

69.06

EC Number：

206-018-7

UNII：

00SRW0M6PW

NSC Number：

137774

DSSTox ID：

DTXSID7059775

HScode：

2934999090

Characteristics

PSA：

XLogP3：

0.08

Density：

1.078 g/cm³ @ Temp: 20 °C

Melting Point：

118-119 °C @ Solvent: Methanol

Boiling Point：

95 °C

Flash Point：

8.9±0.0 °C

Refractive Index：

1.422

Water Solubility：

2.41 M

Vapor Pressure：

45.46 mmHg

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

R11

safety instructions：

S16-S23/33

Marks：

F:Flammable;

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 132 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

Isoxazole

Isoxazole Use and Manufacturing

Uses

Natural insecticide.

Manufacturing Info：

Isoxazole: ACTIVE

Computed Properties

Molecular Weight:69.06
XLogP3:0.1
Hydrogen Bond Acceptor Count:2
Exact Mass:69.021463719
Monoisotopic Mass:69.021463719
Topological Polar Surface Area:26
Heavy Atom Count:5
Complexity:30.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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