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2060-64-2

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2060-64-2 Structure

2060-64-2 Structure
IdentificationBack Directory
[Name]

1-BENZOTHIOPHENE-5-CARBOXYLIC ACID
[CAS]

2060-64-2
[Synonyms]

BUTTPARK 98\04-76
5-CARBOXYBENZO[B]THIOPHENE
5-BENZOTHIOPHENECARBOXALDEHYDE
Benzothiophene-5-carboxylic acid
1-BENZOTHIOPHENE-5-CARBOXYLIC ACID
Benzo[b]thiophene-5-carboxylic acid
1-benzo[b]thiophene-5-carboxylic acid
[Molecular Formula]

C9H6O2S
[MDL Number]

MFCD04974042
[MOL File]

2060-64-2.mol
[Molecular Weight]

178.21
Chemical PropertiesBack Directory
[Melting point ]

207-208 °C
[Boiling point ]

376.2±15.0 °C(Predicted)
[density ]

1.419±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C(protect from light)
[form ]

solid
[pka]

4.13±0.30(Predicted)
[color ]

White
[InChI]

InChI=1S/C9H6O2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H,(H,10,11)
[InChIKey]

SNBYTKLWZRHESA-UHFFFAOYSA-N
[SMILES]

C12=CC=C(C(O)=O)C=C1C=CS2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Flame (GHS02)
GHS07,GHS02
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H226
[Precautionary statements ]

P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[HS Code ]

2934999090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Ethyl acetate-->Methanol-->Diethyl ether-->Sodium-->N,N-Dimethylformamide-->Toluene-->Potassium carbonate-->Sodium carbonate-->Sodium sulfate-->Potassium hydroxide-->Pyridine-->polyphosphoric acid-->Chlorobenzene-->Ethylenediamine-->Copper(I) Cyanide-->Tetrabutylammonium bromide-->4-Bromothiophenol-->Bromoacetaldehyde dimethyl acetal-->2-Bromomethyl-1,3-dioxolane-->4-Mercaptobenzoic acid
Spectrum DetailBack Directory
[Spectrum Detail]

1-BENZOTHIOPHENE-5-CARBOXYLIC ACID(2060-64-2)1HNMR
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