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3,3,6,6-Tetrachloro-2,5-bis(4-methylphenyl)-1,4,2,5-dithiadiazinane

HCID 257520
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
18715-75-8
Standard SMILES
Cc1ccc(N2SC(Cl)(Cl)N(c3ccc(C)cc3)SC2(Cl)Cl)cc1
InChIKey
UUILSIQOYGCVPZ-UHFFFAOYSA-N
Molecular formula
C16H14Cl4N2S2
Average molar mass
440.2 g/mol
Monoisotopic mass
437.935252

Names & identifiers

Preferred name
3,3,6,6-Tetrachloro-2,5-bis(4-methylphenyl)-1,4,2,5-dithiadiazinane
IUPAC
3,3,6,6-tetrachloro-2,5-bis(4-methylphenyl)-1,4,2,5-dithiadiazinane
English name
1,4,2,5-Dithiadiazine,3,3,6,6-tetrachlorotetrahydro-2,5-bis(4-methylphenyl)-
Molecular formula
C16H14Cl4N2S2
Molecular weight
440.24

Names & synonyms

3,3,6,6-tetrachloro-2,5-bis(4-methylphenyl)-1,4,2,5-dithiadiazinane18715-75-8NSC85605DTXSID10292797NSC-85605AKOS0244189931,4,2,5-Dithiadiazine,3,3,6,6-tetrachlorotetrahydro-2,5-bis(4-methylphenyl)-

Database identifiers

CAS
18715-75-8
PubChem CID
257520
DTXSID
DTXSID10292797
EC Number
145-972-8

Properties

Computed structural properties

XLogP
8
Topological polar surface area
57.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Formal charge
0
Complexity
396

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Suppliers1 total

西格玛奥德里奇(上海)贸易有限公司21-20338288 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes