(1-((4-Bromophenyl)sulfonyl)piperidin-4-yl)methanol
Basic information
- CAS
937012-94-7- Standard SMILES
O=S(=O)(c1ccc(Br)cc1)N1CCC(CO)CC1- InChIKey
AZBDTJVXMGXSBX-UHFFFAOYSA-N- Molecular formula
- C12H16BrNO3S
- Average molar mass
- 334.23 g/mol
- Monoisotopic mass
- 333.00343
Names & identifiers
- Preferred name
- (1-((4-Bromophenyl)sulfonyl)piperidin-4-yl)methanol
- IUPAC
- [1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanol
- English name
- (1-[(4-BROMOPHENYL)SULFONYL]-4-PIPERIDINYL)METHANOL
- Molecular formula
- C12H16BrNO3S
- Molecular weight
- 334.23
Names & synonyms
937012-94-7(1-((4-Bromophenyl)sulfonyl)piperidin-4-yl)methanol{1-[(4-Bromophenyl)sulfonyl]-4-piperidinyl}methanolMFCD08689741[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanol[1-(4-bromobenzenesulfonyl)piperidin-4-yl]methanol1-[(4-Bromophenyl)sulphonyl]-4-(hydroxymethyl)piperidineSCHEMBL3917694AKOS005072560GA-0701DB-421240CS-0357070
Show more names
4-Piperidinemethanol, 1-[(4-bromophenyl)sulfonyl]-(1-[(4-BROMOPHENYL)SULFONYL]-4-PIPERIDINYL)METHANOL1-[(4-Bromophenyl)sulfonyl]-4-(hydroxymethyl)piperidine
1-[(4-Bromophenyl)sulfonyl]-4-piperidinemethanol
Database identifiers
- CAS
937012-94-7- PubChem CID
- 18526163
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 113 · 113-115°C
- Boiling point
- 457.2 · 457.2±51.0 °C(Predicted)
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- pka
- 14.94 · 14.94±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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