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Methyl 4-oxotetrahydrothiophene-3-carboxylate

Methyl 4-oxotetrahydrothiophene-3-carboxylate structure

CAS No:
2689-68-1
Formula:
C6H8O3S
Chemical Name:
Methyl 4-oxotetrahydrothiophene-3-carboxylate
Synonyms:
4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENONE;AKOS 92615;tetrahydro-4-oxo-3-thiophenecarboxylicacimethylester;METHYL 4-OXOTETRAHYDROTHIOPHENE-3-CARBOXYLATE;methyl tetrahydro-4-oxo-3-thenoate;4-Oxo-Tetrahydro-Thiophene-3-CarboxylicAcidMethylEster;4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENE;Methyl 4-oxotetrahydrothiophene-3-carboxylate, 95+%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

METHYL 4-OXOTETRAHYDROTHIOPHENE-3-CARBOXYLATE is White solid

White solid

Methyl 4-oxotetrahydrothiophene-3-carboxylate Basic Attributes

Molecular Weight：

160.19

Exact Mass：

160.19

EC Number：

220-256-9

NSC Number：

127560

TSCA：

TSCA listed

Color/Form：

Light Yellow

HScode：

29339900

Characteristics

PSA：

68.7

XLogP3：

-0.10

Density：

1.309±0.06 g/cm3(Predicted)

Melting Point：

37-38 °C

Boiling Point：

95 °C

Flash Point：

116.7±15.4 °C

Refractive Index：

1.528

PKA：

10.52±0.20(Predicted)

Critical Temperature & Pressure：

2-8°C(protect from light)

Safety Information

Hazard category：

IRRITANT

hazard class code：

safety instructions：

26-37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

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, P403+P233, P405, P501

Hazard Statements：

36/37/38

GHS Classification：

|Warning|H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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, 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.

Methyl 4-oxotetrahydrothiophene-3-carboxylate Use and Manufacturing

Uses

Used in the preparation of a new class of neuroleptic agents.

Manufacturing Info：

3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester: INACTIVE

Computed Properties

Molecular Weight:160.19
XLogP3:0.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:160.01941529
Monoisotopic Mass:160.01941529
Topological Polar Surface Area:68.7
Heavy Atom Count:10
Complexity:166
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Methyl 4-oxotetrahydrothiophene-3-carboxylate

Hangzhou Chungyo Chemicals Co., Ltd. Contact Supplier

CN
3 YRS

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Manufactory Supplier of Dyes,Textile agent,Medical intermediate,API,Pigments,Basic Chemicals

Methyl 4-oxotetrahydrothiophene-3-carboxylate

CAS No.: 2689-68-1

Content: 98%

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Guide of Methyl 4-oxotetrahydrothiophene-3-carboxylate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

Methyl 4-oxotetrahydrothiophene-3-carboxylate

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