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18704-67-1

18704-67-1 Structure

18704-67-1 Structure
IdentificationMore
[Name]

4-CHLORO-2-(1H-PYRAZOL-3-YL)PHENOL
[CAS]

18704-67-1
[Synonyms]

4-CHLORO-2-(1H-PYRAZOL-3-YL)PHENOL
LABOTEST-BB LT00452375
5-(2`-hydroxy-5`-chlorophenyl)pyrazole
[EINECS(EC#)]

242-516-0
[Molecular Formula]

C9H7ClN2O
[MDL Number]

MFCD00209566
[Molecular Weight]

194.62
[MOL File]

18704-67-1.mol
Chemical PropertiesBack Directory
[Appearance]

White crystalline powder
[Melting point ]

155-158 °C(lit.)
[Boiling point ]

411.2±30.0 °C(Predicted)
[density ]

1.424±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

8.48±0.43(Predicted)
[color ]

White to Orange to Green
[InChI]

1S/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
[InChIKey]

DMGLUMYOLOAXJY-UHFFFAOYSA-N
[SMILES]

Oc1ccc(Cl)cc1-c2cc[nH]n2
[CAS DataBase Reference]

18704-67-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29331990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Uses]

4-Chloro-2-(1H-pyrazol-3-yl)phenol undergoes Mannich reaction with N,N′-bis(methoxymethyl)diaza-18-crown-6 to afford NCH2N-linked bis(3-(5-chloro-2-hydroxy)pyrazol-1-ylmethyl)-substituted diazacrown ether (98% yield).
[General Description]

4-Chloro-2-(1H-pyrazol-3-yl)phenol undergoes Mannich reaction with N,N′-bis(methoxymethyl)diaza-18-crown-6 to afford NCH2N-linked bis(3-(5-chloro-2-hydroxy)pyrazol-1-ylmethyl)-substituted diazacrown ether (98% yield).
Spectrum DetailBack Directory
[Spectrum Detail]

4-CHLORO-2-(1H-PYRAZOL-3-YL)PHENOL(18704-67-1)1HNMR
4-CHLORO-2-(1H-PYRAZOL-3-YL)PHENOL(18704-67-1)FT-IR
4-CHLORO-2-(1H-PYRAZOL-3-YL)PHENOL(18704-67-1)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chloro-2-(1H-pyrazol-3-yl)phenol(18704-67-1)
[Alfa Aesar]

4-Chloro-2-(1H-pyrazol-3-yl)phenol, 98%(18704-67-1)
[Sigma Aldrich]

18704-67-1(sigmaaldrich)
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