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40753-13-7

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40753-13-7 Structure

40753-13-7 Structure
IdentificationBack Directory
[Name]

4-(4-BROMOPHENYL)-1,2,3-THIADIAZOLE
[CAS]

40753-13-7
[Synonyms]

3-thiadiazole,4-(4-bromophenyl)-2
4-(4-BROMOPHENYL)-1,2,3-THIADIAZOLE
1,2,3-Thiadiazole, 4-(4-bromophenyl)-
4-(4-Bromophenyl)-1,2,3-thiadiazole ,97%
[Molecular Formula]

C8H5BrN2S
[MDL Number]

MFCD00084907
[MOL File]

40753-13-7.mol
[Molecular Weight]

241.11
Chemical PropertiesBack Directory
[Melting point ]

154 °C
[Boiling point ]

341.5±34.0 °C(Predicted)
[density ]

1.642±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

-4.38±0.27(Predicted)
[InChI]

1S/C8H5BrN2S/c9-7-3-1-6(2-4-7)8-5-12-11-10-8/h1-5H
[InChIKey]

HGWOTVRPRHVJQK-UHFFFAOYSA-N
[SMILES]

[s]1nnc(c1)c2ccc(cc2)Br
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H332-H302-H315-H312
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
[Hazard Codes ]

Xi,T
[Risk Statements ]

36/37/38-25
[Safety Statements ]

26-36/37/39-45-37/39
[WGK Germany ]

WGK 3
[HS Code ]

29349990
[Storage Class]

11 - Combustible Solids
[Toxicity]

mouse,LD,intraperitoneal,> 1gm/kg (1000mg/kg),Pharmaceutical Chemistry Journal Vol. 28, Pg. 99, 1994.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Thionyl chloride-->PETROLEUM ETHER-->Toluene-->p-Toluenesulfonic acid-->Ethyl carbazate-->4'-Bromoacetophenone
Hazard InformationBack Directory
[Chemical Properties]

Light yellow solid
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