Phenylboronic acid 苯硼酸

规格: 97%
CAS: 98-80-6
产品编号: H36095
MDL: MFCD00002103
品牌: INFI
Chemical NamePhenylboronic Acid
CAS Number98-80-6
Alfabeta NamePHENYLBORONICACID
MDL NumberMFCD00002103
EC Number202-701-9
Beilstein Registry Number970972
Synonym Phenylboronic acid {LY} Phenylboronic acid {} {LY} Phenylboronic acid {} {} {LY} Phenylboronic acid {} {} {} {LY} Phenylboronic acid {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {} {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylboronic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87563836
Merck Number1068
Reaxys-RN970972
Chemical Name Translation苯硼酸
Wiswesser Line NotationQBQR
LabNetwork Molecule IDLN00008129
InChIInChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
Canonical SMILESOB(C1=CC=CC=C1)O
GHS Symbol
{

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New
   York, John Wiley & Sons, Inc., 1964  Volume(issue)/page/year: -,693,1964

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New
   York, John Wiley & Sons, Inc., 1964  Volume(

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 284 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BANMAC Bulletin de l'Academie Nationale de Medicine (Paris).  (Imprimeries
   Reunies de Chambray, 226, route d'Apremont, F-73490 La Ra

Warnings IRRITANT, MOISTURE SENSITIVE
Signal word Warning
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
    Risk Statements
    • R22 Harmful if swallowed 吞咽有害
    • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
      Precautionary statements
      • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
      • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
      • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
      • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
      • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
      • P301+P312+P330
      • P302+P352+P332+P313+P362+P364
      • P305+P351+P338
      • P305+P351+P338+P337+P313
      • P332+P313
      • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
      • P501 Dispose of contents/container to..… 处理内容物/容器.....
        Hazard statements
        • H302 Harmful if swallowed 吞食有害
          RTECSCY8575000
          Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
          Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {}
          Hazard Codes Xn Xn,Xi,N
        • {ALF} Promotes the ortho-hydroxalkylation of phenols by aldehydes. The cyclic boronate, formed via a [3,3] sigmatropic rearrangement, is the key intermediate: Synthesis, 365 (1979):
        • {ALF} With citronellal, hexahydrocannabinoids are formed: J. Chem. Soc., Perkin 1, 605
        • {ALF} Acts as a template for Diels-Alder reactions, by forming boronate linkages with a hydroxydiene and a hydroxydienophile: Synthesis 1171 (1991); for Nicolaou's application to synthesis of the CD ring system of taxol, see: J. Chem. Soc., Chem. Commun., 1118 (1992); J. Am. Chem. Soc., 117, 634 (1995):
        • {ALF} The most widely-used reaction of arylboronic acids is the Pd-catalyzed Suzuki synthesis of unsymmetrical biaryls: Synth. Commun., 11, 513 (1981):
        • {ALF} Forms a stable chiral acyloxyborane (CAB) catalyst with tartaric acid derivatives, which catalyze hetero Diels-Alder reactions, e.g. between aldehydes and 1-Methoxy-3-trimethyl­siloxy-1,3-butadiene, L06100, to give enantioselectively, dihydro-4-pyrone derivatives: Tetrahedron, 50, 979 (1994).
        • {ALF} For a brief feature on uses of this reagent in Organic synthesis, see: Synlett, 2679 (2006). For further information and reviews on boronic acid chemistry, see Appendix 5.
        • {ALF} For use in the formation of an oxazaborolidine catalyst for use in enantioselective reductions, see note under (S)-(-)-ɑ,ɑ-Diphenyl­prolinol, L09217.
        • {ALF} For illustrative example, see: Org. Synth., 75, 53 (1997).
        • {uni_hamburg} Short: EINECS
        • {ALF} With citronellal, hexahydrocannabinoids are formed: J. Chem. Soc., Perkin 1, 605 (1992).
        • {uni_hamburg} Short: III/35A
        • {ALD} Merck:
        • {ALF} Reagent for protection of diols as their cyclic boronates: J. Am. Chem. Soc., 80, 2443 (1958); Tetrahedron, 25, 477 (1969), which are also useful in GC and GC-MS. This has been utilized to trap cis-diols, in order to prevent over-oxidation during dihydroxylation reactions catalyzed by Osmium(VIII)­ oxide, 12103: Chem. Lett., 1721 (1988); J. Org. Chem., 63, 7322 (1998).
          • 98-80-6 H36095 Phenylboronic acid 苯硼酸

          化学属性

          Mol. FormulaC6H7BO2
          Mol. Weight121.93
          Melting Point218-222°C
          Density1.13
          TSCAT
          SolubilitySoluble in water (10 mg/ml at 20 °C), ether (30.2%), chloroform, methanol (178%), and DMSO.
          Stability易吸潮
          Appearance white to off-white pwdr.
          pH:A
          Boiling Point265.9±23.0 °C at 760 mmHg

          *以上化合物性质及应用等信息仅供参考