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CS-W001157 4
Total: USD 88.00

Protocatechunitrile

  • CAS No. 17345-61-8

  • Cat. No. CS-W008780
  • Purity≥98%
  • MDL No.MFCD00016436

*For research and further manufacturing use only, not for direct human use.

Protocatechunitrile|CS-W008780

Structure of 17345-61-8

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General Information

  • CAS No. 17345-61-8
  • Cat. No. CS-W008780
  • Purity ≥98%
  • MDL No. MFCD00016436
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₂
  • Molecular Weight 135.12
  • Synonym(s) 3,4-Dihydroxybenzonitrile; 4-Cyano-1,2-dihydroxybenzene; 4-Cyanobenzene-1,2-diol; 4-Cyanocatechol; 4-Cyanopyrocatechol; Protocatechuonitrile
  • SMILES N#CC1=CC=C(O)C(O)=C1

Description

3,4-Dihydroxybenzonitrile can be prepared from 4-hydroxy-3-methoxybenzonitrile. It can also be synthesized by reacting 3,4-dimethoxybenzonitrile, lithium diisopropylamide (LDA) and 1,3-dimethyl-2-imidazolidinone (DMEU).

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   64.25
  • LogP   0.96948
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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