Basic information
- Name:
Bicyclo[2.2.1]heptane-7-methanesulfonicacid, 2-bromo-4,7-dimethyl-3-oxo-, ammonium salt (1:1), (1S,2S,4R,7R)-
- Superlist Name:
- D-3-Bromocamphor-8-sulfonic acid ammonium salt
- CAS No.:
14575-84-9
- Molecular Structure:
![Molecular Structure of 14575-84-9 (Bicyclo[2.2.1]heptane-7-methanesulfonicacid, 2-bromo-4,7-dimethyl-3-oxo-, ammonium salt (1:1), (1S,2S,4R,7R)-)](http://www.lookchem.com/300w/2010/0619/14575-84-9.jpg)
- Formula:
- C10H18BrNO4S
- Molecular Weight:
- 328.22
- Synonyms:
- 8-Bornanesulfonicacid, 3-bromo-2-oxo-, ammonium salt, (+)- (8CI);Bicyclo[2.2.1]heptane-7-methanesulfonic acid, 3-bromo-1,7-dimethyl-2-oxo-,ammonium salt, (1R,3S,4S,7R)- (9CI);Bicyclo[2.2.1]heptane-7-methanesulfonicacid, 3-bromo-1,7-dimethyl-2-oxo-, ammonium salt, [1R-(endo,anti)]-;(1R)-(+)-3-Bromocamphor-8-sulfonicacid ammonium salt;Ammonium (+)-a-bromocamphor-p-sulfonate;Ammonium (1R)-(+)-3-bromocamphor-8-sulfonate;Ammonium[(1R)-(endo,anti)]-3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]heptane-7-methanesulfonate;Ammonium d-a-bromocamphor-p-sulfonate;
- EINECS:
- 238-616-9
- Melting Point:
- 284 °C (dec.)(lit.)
- Boiling Point:
- 477.5 °C at 760 mmHg
- Flash Point:
- 242.6 °C
- Solubility:
- 200 g/L (25 °C) in water
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-37/39 Details
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Specification
The Bicyclo[2.2.1]heptane-7-methanesulfonicacid, 2-bromo-4,7-dimethyl-3-oxo-, ammonium salt (1:1), (1S,2S,4R,7R)-, with the CAS registry number 14575-84-9 and EINECS registry number 238-616-9, has the systematic name of [(1R,3S,4S)-3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]hept-7-yl]methanesulfonic acid ammoniate. It is a kind of white fine crystalline powder, and belongs to the product categories: Bicyclic Monoterpenes; Biochemistry; Terpenes; Chiral Building Blocks; Organic Building Blocks; Sulfonic/Sulfinic Acid Salts. And the molecular formula of the chemical is C10H18BrNO4S.
The characteristics of Bicyclo[2.2.1]heptane-7-methanesulfonicacid, 2-bromo-4,7-dimethyl-3-oxo-, ammonium salt (1:1), (1S,2S,4R,7R)- are as followings: (1)#H bond acceptors: 5; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 79.82 Å2; (5)Flash Point: 242.6 °C; (6)Enthalpy of Vaporization: 81.21 kJ/mol; (7)Boiling Point: 477.5 °C at 760 mmHg; (8)Vapour Pressure: 1.97E-10 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N.O=C1[C@@H](Br)[C@H]2CC[C@]1(C)C2(C)CS(O)(=O)=O
(2)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/t6-,7+,9+,10?;/m1./s1
(3)InChIKey: GFBVBBRNPGPROZ-ATNBVHDLBU