CAS No.55870-50-3,Ammonium (-)-3-bromo-8-camphorsulfonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55870-50-3
Name:	Ammonium (-)-3-bromo-8-camphorsulfonate

Formula:	C₁₀H₁₈BrNO₄S
Molecular Weight:	328.227
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
Density:	1.4048 (estimate)
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:	S26; S37/39; S36
PSA:	83.06000
LogP:	3.04770

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Chemistry

Molecular Structure of Ammonium (-)-3-bromo-8-camphorsulfonate (CAS NO.55870-50-3):

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: Irritant 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.