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Methyl propiolate

Methyl propiolate structure

CAS No:
922-67-8
Formula:
C4H4O2
Chemical Name:
Methyl propiolate
Synonyms:
2-Propynoic acid,methyl ester;Propiolic acid,methyl ester;Methyl propiolate;Methyl acetylenecarboxylate;Methyl propynoate;Methyl ethynecarboxylate;(Methoxycarbonyl)acetylene;Methyl 2-propynoate;Methyl propargylate;(Carbomethoxy)acetylene;Methyl acetylenemonocarboxylate;Propynoic acid methyl ester;NSC 154164
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

colourless to light yellow liquid

Methyl propiolate Basic Attributes

Molecular Weight：

84.07

Exact Mass：

84.07

BRN：

605462

EC Number：

213-083-5

UNII：

T88NXO102K

NSC Number：

154164

DSSTox ID：

DTXSID60238923

HScode：

29161980

Characteristics

PSA：

26.3

XLogP3：

0.89

Appearance：

Clear colorless Liquid

Density：

1.0±0.1 g/cm3

Melting Point：

171-173 °C

Boiling Point：

102 °C @ Press: 742 Torr

Flash Point：

50 °F

Refractive Index：

1.408

Water Solubility：

Not miscible in water.

Storage Conditions：

Refrigerator (+4°C) + Flammables area

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3272 3/PG 2

wgk germany：

hazard class code：

11-36/37/38-36

safety instructions：

26-36-36/37/39-23-16-33-7/9

RTECS Number：

UE0050000

Marks：

F,Xi

Hazard note：

Highly Flammable/Harmful

Stability/Shelf Life：

Stable. Highly flammable. Incompatible with strong oxidizing agents, bases, acids.

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H315-H319-H335

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 54 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl propiolate Use and Manufacturing

Used as N-3 protective reagent for uridine and thymidine; used for one-pot four-component synthesis of 1,2,3,5-benzenetetracarboxylate promoted by Ph3P

Computed Properties

Molecular Weight:84.07
XLogP3:0.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:84.021129366
Monoisotopic Mass:84.021129366
Topological Polar Surface Area:26.3
Heavy Atom Count:6
Complexity:95.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 922-67-8

Grade: Industrial Grade

Content: 99%

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Methyl propiolate

CAS No.: 922-67-8

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