3-thiophenemalonic acid | CAS No. 21080-92-2

3-thiophenemalonic acid

Basic Information

CAS Number

21080-92-2

Molecular Formula

C7H6O4S

Molecular Weight

186.19 g/mol

AD

Basic Physical Properties

Melting Point

139 °C (dec.)

Boiling Point

396.8℃/760mmHg

Flash Point

193.8 oC

Refractive Index

1.5500 (estimate)

C1=CSC=C1C(C(=O)O)C(=O)O

InChI

InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)

InChIKey

GCOOGCQWQFRJEK-UHFFFAOYSA-N

LogP

1.0009000000000001

Topological Polar Surface Area

74.6 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

190

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • W-107575
  • Thiophene-3-malonic acid
  • GCOOGCQWQFRJEK-UHFFFAOYSA-
  • AC-4339
  • 3-Thienylmalonic acid
  • Propanedioic acid, 3-thienyl-
  • SR-01000944735
  • 3-thiophenemalonic
  • AS-11843
  • UNII-KK6MPZ6HAH
  • T1354
  • NS00026782
  • InChI=1/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)
  • CHEMBL3360550
  • 21080-92-2
  • 3-Thiophenemalonic acid, 97%
  • SCHEMBL162736
  • 2-thiophen-3-ylpropanedioic acid
  • 5-(trifluoromethyl)benzo[b]thiophene-2-carboxylic?acid
  • AKOS015856697
  • 3-Thiophene malonic acid
  • 2-(thiophen-3-yl)malonic acid;(3-Thienyl)malonic acid
  • A912337
  • SY015822
  • (3-Thienyl)malonic acid
  • Propanedioic acid, 2-(3-thienyl)-
  • 2-(thiophen-3-yl)malonic acid
  • 3-Thienylpropanedioic acid
  • SR-01000944735-1
  • 2-(3-Thienyl)malonic acid
  • BIDD:GT0437

MDL Number

MFCD00005469

Customs Code

2942000000

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