4-CARBOXY-2-FLUOROPHENYLBORONIC ACID PINACOL ESTER

CAS No.
1050423-87-4
CCD No.
CCD01805508
Formula
C13 H16 B F O4
MolWeight
266.074

Basic Information

Product Name: 4-CARBOXY-2-FLUOROPHENYLBORONIC ACID PINACOL ESTER
CAS: 1050423-87-4
English Synonyms: 3-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID ; 4-CARBOXY-2-FLUOROBENZENEBORONIC ACID PINACOL ESTER ; 4-CARBOXY-2-FLUOROPHENYLBORONIC ACID PINACOL ESTER ; BENZOIC ACID, 3-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
MDL Number.: MFCD12756466
H bond acceptor: 4
H bond donor: 1
Smile: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2F)C(=O)O
InChi: InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)9-6-5-8(11(16)17)7-10(9)15/h5-7H,1-4H3,(H,16,17)
InChiKey: InChIKey=JSQNZNXVVRPGTD-UHFFFAOYSA-N

Property

Melting Point: 199-204 DEG C
Comments: WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26
WGK Germany: 3

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