ChemicalBook--->CAS DataBase List--->86-39-5

86-39-5

86-39-5 Structure

86-39-5 Structure
IdentificationMore
[Name]

2-Chlorothioxanthone
[CAS]

86-39-5
[Synonyms]

2-CHLOROTHIAXANTHONE
2-CHLOROTHIOXANTHEN-9-ONE
2-CHLOROTHIOXANTHENE-9-ONE
2-CHLOROTHIOXANTHONE
9H-THIOXANTHEN-9-ONE, 2-CHLORO-
LABOTEST-BB LT00452590
2-chloro-9h-thioxanthen-9-on
2-chloro-9H-Thioxanthen-9-one
KayacureCTX
NissoCureCTX
QuantacureCTX
Sandoray1050
Thioxanthen-9-one,2-chloro-
UCI100
2-Chlorothoxanthone
[EINECS(EC#)]

201-667-2
[Molecular Formula]

C13H7ClOS
[MDL Number]

MFCD00005067
[Molecular Weight]

246.71
[MOL File]

86-39-5.mol
Chemical PropertiesBack Directory
[Melting point ]

152.5-153.5 °C(lit.)
[Boiling point ]

409.4±44.0 °C(Predicted)
[density ]

1.53 g/cm3
[Fp ]

196 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

neat
[color ]

Light yellow to Yellow to Green
[Water Solubility ]

Partly miscible in water.
[InChI]

InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
[InChIKey]

ZCDADJXRUCOCJE-UHFFFAOYSA-N
[SMILES]

C1(=O)C2=C(C=CC=C2)SC2=C1C=C(Cl)C=C2
[CAS DataBase Reference]

86-39-5(CAS DataBase Reference)
[EPA Substance Registry System]

86-39-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F
[Risk Statements ]

R11:Highly Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S33:Take precautionary measures against static discharges .
[RIDADR ]

UN 1325 4.1/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

4.1
[PackingGroup ]

III
[HS Code ]

29349990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Anthranilic acid-->4-Chlorothiophenol-->Diphenyl sulfide-->NSC54679-->2-(4-chlorophenylthio)benzoic acid-->2-CHLORO-9-(3-DIMETHYLAMINOPROPYLIDENE)THIOXANTHENE-->Thiosalicylic acid-->Chlorobenzene
[Preparation Products]

2-CHLORO-9-(3-(DIMETHYLAMINO)PROPYL)-TH&-->clopenthixol-->Chlorprothixene-->4-chloro-9H-thioxanthen-9-one-->2-amino-9H-thioxanthen-9-one
Hazard InformationBack Directory
[Chemical Properties]

Beige powder
[Uses]

2-Chlorothioxanthone is used as pharmaceutical intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chlorothioxanthone(86-39-5)MS
2-Chlorothioxanthone(86-39-5)1HNMR
2-Chlorothioxanthone(86-39-5)13CNMR
2-Chlorothioxanthone(86-39-5)IR1
2-Chlorothioxanthone(86-39-5)IR2
2-Chlorothioxanthone(86-39-5)IR3
2-Chlorothioxanthone(86-39-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Chlorothioxanthone, 99%(86-39-5)
[Sigma Aldrich]

86-39-5(sigmaaldrich)
[TCI AMERICA]

2-Chlorothioxanthone,>98.0%(GC)(86-39-5)
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