3-Bromo-2-oxobornane-10-sulphonic acid
Basic information
- CAS
24262-38-2- Standard SMILES
CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2Br- InChIKey
XUJHKPSBHDQIOD-UHFFFAOYSA-N- Molecular formula
- C10H15BrO4S
- Average molar mass
- 311.19 g/mol
- Monoisotopic mass
- 309.98744
Names & identifiers
- Preferred name
- 3-Bromo-2-oxobornane-10-sulphonic acid
- IUPAC
- (3-bromo-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid
- English name
- D-3-Bromocamphor-10-sulfonic acid monohydrate
- Molecular formula
- C10H15BrO4S
- Molecular weight
- 311.19
Names & synonyms
24262-38-23-Bromo-2-oxobornane-10-sulphonic acidD-3-Bromocamphor-10-sulfonic acid monohydrate(3-Bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid(3-bromo-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid{3-bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonic acidEINECS 246-114-6BromcamphersulfonsaureSCHEMBL547026DTXSID30947090XUJHKPSBHDQIOD-UHFFFAOYSA-N(+)-3-bromocamphor-10-sulphonic acid
Show more names
3-Bromo-10-camphorsulfonic acid3-Bromo-2-oxo-10-bornanesulfonic acid(1s)-(+)-3-Bromo Camphor-10-Sulfonic AcidD-3-BROMOCAMPHOR-10-SULFONIC ACID 1-HYDRATE1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine(1S)(+)-3-Bromo camphor-10-sulfonic acid·monohydrate[(1S)-endo]-(+)-3-Bromo-10-camphorsulfonic acid monohydrate[1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-yl]amine
DB-046382NS00051106
Database identifiers
- CAS
24262-38-2- PubChem CID
- 91157
- DTXSID
DTXSID30947090- EC Number
- 246-114-6
- Nikkaji
- J287.197A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Melting point
- 117 · 117-121°C
- Density
- 1.647 · 1.647±0.06 g/cm3(Predicted)
- pka
- 1.17 · 1.17±0.50(Predicted)
- CAS DataBase Reference
- 24262 · 24262-38-2(CAS DataBase Reference)
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2585 · 2585
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
- ridadr
- 2585
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
Related reactions
2 records
Compound notes
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