Molecular Structure of 2-chloro-4-(5-fluoro-2-methylbenzamido)benzoic acid (CAS NO.28305-25-1):
IUPAC Name: calcium; 2-hydroxypropanoate; (2S)-2-hydroxypropanoate
Empirical Formula: C6H10CaO6
Molecular Weight: 218.218
H bond acceptors: 6
H bond donors: 4
Freely Rotating Bonds: 4
Polar Surface Area: 98.72Å2
Melting point: 240 °C
EINECS: 248-953-3
Product Categories: Food additives
InChI
InChI=1/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2/t2-;;/m0../s1
Smiles
[Ca+2].C(=O)([O-])[C@H](C)O.C([C@@H](C)O)(=O)[O-]
Hazard Codes: Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Calcium L-lactate , with CAS number of 28305-25-1, can be called Propanoic acid, 2-hydroxy-, calcium salt(2:1), (S)- ; Lacticacid, calcium salt (2:1), L- (8CI) .
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