Basic information
- CAS
1341538-76-8- Standard SMILES
CCCCCCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O- InChIKey
ZPDOEYYJRGEGRI-UHFFFAOYSA-N- Molecular formula
- C10H15ClN2O4S
- Average molar mass
- 294.76 g/mol
- Monoisotopic mass
- 294.0441058
Names & identifiers
- Preferred name
- 1-Hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
- IUPAC
- 1-hexyl-2,4-dioxopyrimidine-5-sulfonyl chloride
Names & synonyms
1-hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride1341538-76-8RefChem:433064864-181-51-hexyl-2,4-dioxopyrimidine-5-sulfonyl chlorideRDC53876AKOS013663162CS-0223027EN300-1135991-hexyl-2,4-dioxo-pyrimidine-5-sulfonyl chlorideZ12223598291-hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonylchloride
Database identifiers
- CAS
1341538-76-8- PubChem CID
- 64340596
- EC Number
- 864-181-5
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 467
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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 CategoriesSkin Corr. 1B (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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