Basic information
- Name:
Ammonium (-)-3-bromo-8-camphorsulfonate
- CAS No.:
55870-50-3
- Molecular Structure:
- Formula:
- C10H18BrNO4S
- Molecular Weight:
- 328.22
- Synonyms:
- Bicyclo[2.2.1]heptane-7-methanesulfonic acid, 3-bromo-1,7-dimethyl-2-oxo-,ammonium salt, [1S-(endo,anti)]-;
- EINECS:
- 259-871-2
- Melting Point:
- 290 °C
- Boiling Point:
- 477.5 °C at 760 mmHg
- Flash Point:
- 242.6 °C
- Appearance:
- white to off-white crystalline powder or needle
- Hazard Symbols:
Xi- Risk Codes:
- R36/37/38
- Safety Description:
- S26; S37/39; S36 Details
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Chemistry
Molecular Structure of Ammonium (-)-3-bromo-8-camphorsulfonate (CAS NO.55870-50-3):
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IUPAC Name: azanium (3-bromo-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl)methanesulfonate
Empirical Formula: C10H18BrNO4S
Molecular Weight: 328.2232
EINECS: 259-871-2
H bond acceptors: 5
H bond donors: 4
Freely Rotating Bonds: 2
Polar Surface Area: 82.65Å2
Flash Point: 242.6 °C
Enthalpy of Vaporization: 81.21 kJ/mol
Boiling Point: 477.5 °C at 760 mmHg
Vapour Pressure: 1.97E-10 mmHg at 25°C
Melting point: 290 °C
InChI
InChI=1/C10H15BrO4S.H3N/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15;/h6-7H,3-5H2,1-2H3,(H,13,14,15);1H3
Smiles
S(C[C@@]1([C@@]2(C(=O)[C@@H]([C@@H]1CC2)Br)C)C)([O-])(=O)=O.[NH4+]
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26-36
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
Specification
Ammonium (-)-3-bromo-8-camphorsulfonate , with CAS number of 55870-50-3, can be called Bicyclo[2.2.1]heptane-7-methanesulfonicacid, 3-bromo-1,7-dimethyl-2-oxo-, ammonium salt, (1S,3R,4R,7S)- . It is a white to off-white crystalline powder or needle.
