125945-98-4

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125945-98-4 Structure

Identification	Back Directory
[Name] BENZOIC ACID-RING-UL-14C
[CAS] 125945-98-4
[Synonyms] Puro HA 1-13C6 14C6H5COOH E 210-13C6 NSC 149-13C6 BENZOIC-RING-13C6 Benzoic Acid-13C6 Dracylic Acid-13C6 MENNO-Florades-13C6 Carboxybenzene-13C6 [13C6]-Benzoic Acid PhenylforMic Acid-13C6 BENZOIC-RING-13C6 ACID BENZOIC ACID, [14C(U)] BenzeneforMic Acid-13C6 BENZOIC ACID-RING-UL-14C BENZOIC ACID (RING-13C6) [RING-U-14C]BENZOIC ACID BenzeneMethanoic Acid-13C6 Phenylcarboxylic Acid-13C6 Benzenecarboxylic Acid-13C6 BENZOIC ACID, [RING-14C(U)] benzoic-13c6acid (ring-13c6) Benzoic acid-(phenyl-13C6) BENZOIC-RING-13C6 ACID, 99 ATOM % 13C
[Molecular Formula] C7H6O2
[MDL Number] MFCD00055747
[MOL File] 125945-98-4.mol
[Molecular Weight] 134.23

Chemical Properties	Back Directory
[Melting point ] 121-125 °C (lit.)
[Boiling point ] 249 °C (lit.)
[storage temp. ] 2-8°C
[solubility ] Chloroform (Slightly), Methanol (Slightly)
[form ] solid
[color ] White to Off-White
[Concentration] 1 mCi/ml
[Solvent] Ethanol
[Specific Activity] 100-120 mCi/mmol
[InChI] 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1
[InChIKey] WPYMKLBDIGXBTP-IDEBNGHGSA-N
[SMILES] OC(=O)[13c]1[13cH][13cH][13cH][13cH][13cH]1
[CAS Number Unlabeled] 65-85-0

Safety Data	Back Directory
[Hazard Codes ] Xn,R
[Risk Statements ] 22-37/38-41-42/43
[Safety Statements ] 26-36-22
[RIDADR ] UN 2910 7
[WGK Germany ] 3
[Storage Class] 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
[Hazard Classifications] Eye Dam. 1 Skin Irrit. 2 STOT RE 1 Inhalation

Hazard Information	Back Directory
[Chemical Properties] White Solid
[Uses] Benzoic Acid-13C6 is a compound useful in organic synthesis with many uses such as the preparation of a-(2-chloro-13C-phenyl)thieno[2,3-c]pyridine-6(5H)-acetate (carbon 13-labeled clopidogrel).
[storage] Store at -20°C

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