33697-81-3,MFCD00004349
Catalog No.:AA0033KZ

33697-81-3 | 3-Chloro-4-hydroxyphenylacetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$17.00   $12.00
- +
25g
95%
in stock  
$84.00   $59.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0033KZ
Chemical Name:
3-Chloro-4-hydroxyphenylacetic acid
CAS Number:
33697-81-3
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD00004349
SMILES:
OC(=O)Cc1ccc(c(c1)Cl)O
Properties
Properties
 
BP:
348.6°C at 760 mmHg  
Form:
Solid  
MP:
108-110 °C(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
172  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Downstream Synthesis Route

[1]D'Ambrosio;Guerriero;Pietra[HelveticaChimicaActa,1984,vol.67,#6,p.1484-1492]

[2]D'Ambrosio;Guerriero;Pietra[HelveticaChimicaActa,1984,vol.67,#6,p.1484-1492]

[1]Sato;Kawashima;Goto;Yamane;Chiba;Jinno;Satake;Imanishi;Iwata[ChemicalandPharmaceuticalBulletin,1994,vol.42,#3,p.521-529]

[2]Tanaka,Nobuyuki;Tamai,Tetsuro;Mukaiyama,Harunobu;Hirabayashi,Akihito;Muranaka,Hideyuki;Ishikawa,Takehiro;Kobayashi,Junichi;Akahane,Satoshi;Akahane,Masuo[Journalofmedicinalchemistry,2003,vol.46,#1,p.105-112]

[1]D'Ambrosio;Guerriero;Pietra[HelveticaChimicaActa,1984,vol.67,#6,p.1484-1492]

33697-81-3    543-27-1   
C13H15ClO5 

[1]Walpole;Wrigglesworth;Bevan;Campbell;Dray;James;Perkins;Reid;Winter[JournalofMedicinalChemistry,1993,vol.36,#16,p.2362-2372]

50541-93-0    33697-81-3   
N-(1-benzylpiperidin-4-yl)-3-chloro-4-hydroxyphenylacetamide 

[1]Huang,Yunsheng;Hammond,PhilipS.;Whirrett,BrianR.;Kuhner,RossJ.;Wu,Li;Childers,StevenR.;Mach,RobertH.[JournalofMedicinalChemistry,1998,vol.41,#13,p.2361-2370]

Literature

Title: Genome sequence of Desulfitobacterium hafniense DCB-2, a Gram-positive anaerobe capable of dehalogenation and metal reduction.

Journal: BMC microbiology 20120101

Title: Tomato root penetration in soil requires a coaction between ethylene and auxin signaling.

Journal: Plant physiology 20110701

Title: Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases.

Journal: Journal of medicinal chemistry 20110324

Title: Auxin influx inhibitors 1-NOA, 2-NOA, and CHPAA interfere with membrane dynamics in tobacco cells.

Journal: Journal of experimental botany 20100801

Title: Carbonic anhydrase inhibitors. Identification of selective inhibitors of the human mitochondrial isozymes VA and VB over the cytosolic isozymes I and II from a natural product-based phenolic library.

Journal: Bioorganic & medicinal chemistry 20100101

Title: 1-(5-Chloro-2,4-dihydroxy-phen-yl)-2-(4-ethoxy-phen-yl)ethanone.

Journal: Acta crystallographica. Section E, Structure reports online 20081001

Title: Ethylene regulates lateral root formation and auxin transport in Arabidopsis thaliana.

Journal: The Plant journal : for cell and molecular biology 20080701

Title: The metabolism and dechlorination of chlorotyrosine in vivo.

Journal: The Journal of biological chemistry 20071005

Title: Synthesis and spectroscopic characterisation of a combinatorial library based on the fungal natural product 3-chloro-4-hydroxyphenylacetamide.

Journal: Magnetic resonance in chemistry : MRC 20070501

Title: Transcriptional activation by CprK1 is regulated by protein structural changes induced by effector binding and redox state.

Journal: The Journal of biological chemistry 20070413

Title: Auxin response, but not its polar transport, plays a role in hydrotropism of Arabidopsis roots.

Journal: Journal of experimental botany 20070101

Title: CprK crystal structures reveal mechanism for transcriptional control of halorespiration.

Journal: The Journal of biological chemistry 20060922

Title: Regulation of anaerobic dehalorespiration by the transcriptional activator CprK.

Journal: The Journal of biological chemistry 20041126

Title: Desulfitobacterium metallireducens sp. nov., an anaerobic bacterium that couples growth to the reduction of metals and humic acids as well as chlorinated compounds.

Journal: International journal of systematic and evolutionary microbiology 20021101

Title: Cigarette smoke impairs neutrophil respiratory burst activation by aldehyde-induced thiol modifications.

Journal: Toxicology 20010307

Title: Novel auxin transport inhibitors phenocopy the auxin influx carrier mutation aux1.

Journal: The Plant journal : for cell and molecular biology 20010201

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SDS
Tags:33697-81-3 Molecular Formula|33697-81-3 MDL|33697-81-3 SMILES|33697-81-3 3-Chloro-4-hydroxyphenylacetic acid
Catalog No.: AA0033KZ
33697-81-3,MFCD00004349
33697-81-3 | 3-Chloro-4-hydroxyphenylacetic acid
Pack Size: 5g
Purity: 95%
in stock
$17.00 $12.00
Pack Size: 25g
Purity: 95%
in stock
$84.00 $59.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0033KZ
Chemical Name: 3-Chloro-4-hydroxyphenylacetic acid
CAS Number: 33697-81-3
Molecular Formula: C8H7ClO3
Molecular Weight: 186.5924
MDL Number: MFCD00004349
SMILES: OC(=O)Cc1ccc(c(c1)Cl)O
Properties
BP: 348.6°C at 760 mmHg  
Form: Solid  
MP: 108-110 °C(lit.)  
Storage: Keep in dry area;2-8℃;  
Complexity: 172  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
Downstream Synthesis Route
156-38-7    33697-81-3    89894-49-5 

[1]D'Ambrosio;Guerriero;Pietra[HelveticaChimicaActa,1984,vol.67,#6,p.1484-1492]

[2]D'Ambrosio;Guerriero;Pietra[HelveticaChimicaActa,1984,vol.67,#6,p.1484-1492]

33697-81-3    50972-63-9 

[1]Sato;Kawashima;Goto;Yamane;Chiba;Jinno;Satake;Imanishi;Iwata[ChemicalandPharmaceuticalBulletin,1994,vol.42,#3,p.521-529]

[2]Tanaka,Nobuyuki;Tamai,Tetsuro;Mukaiyama,Harunobu;Hirabayashi,Akihito;Muranaka,Hideyuki;Ishikawa,Takehiro;Kobayashi,Junichi;Akahane,Satoshi;Akahane,Masuo[Journalofmedicinalchemistry,2003,vol.46,#1,p.105-112]

33697-81-3    93245-87-5 

[1]D'Ambrosio;Guerriero;Pietra[HelveticaChimicaActa,1984,vol.67,#6,p.1484-1492]

33697-81-3    543-27-1   
C13H15ClO5 

[1]Walpole;Wrigglesworth;Bevan;Campbell;Dray;James;Perkins;Reid;Winter[JournalofMedicinalChemistry,1993,vol.36,#16,p.2362-2372]

50541-93-0    33697-81-3   
N-(1-benzylpiperidin-4-yl)-3-chloro-4-hydroxyphenylacetamide 

[1]Huang,Yunsheng;Hammond,PhilipS.;Whirrett,BrianR.;Kuhner,RossJ.;Wu,Li;Childers,StevenR.;Mach,RobertH.[JournalofMedicinalChemistry,1998,vol.41,#13,p.2361-2370]

Literature fold

Title: Genome sequence of Desulfitobacterium hafniense DCB-2, a Gram-positive anaerobe capable of dehalogenation and metal reduction.

Journal: BMC microbiology20120101

Title: Tomato root penetration in soil requires a coaction between ethylene and auxin signaling.

Journal: Plant physiology20110701

Title: Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases.

Journal: Journal of medicinal chemistry20110324

Title: Auxin influx inhibitors 1-NOA, 2-NOA, and CHPAA interfere with membrane dynamics in tobacco cells.

Journal: Journal of experimental botany20100801

Title: Carbonic anhydrase inhibitors. Identification of selective inhibitors of the human mitochondrial isozymes VA and VB over the cytosolic isozymes I and II from a natural product-based phenolic library.

Journal: Bioorganic & medicinal chemistry20100101

Title: 1-(5-Chloro-2,4-dihydroxy-phen-yl)-2-(4-ethoxy-phen-yl)ethanone.

Journal: Acta crystallographica. Section E, Structure reports online20081001

Title: Ethylene regulates lateral root formation and auxin transport in Arabidopsis thaliana.

Journal: The Plant journal : for cell and molecular biology20080701

Title: The metabolism and dechlorination of chlorotyrosine in vivo.

Journal: The Journal of biological chemistry20071005

Title: Synthesis and spectroscopic characterisation of a combinatorial library based on the fungal natural product 3-chloro-4-hydroxyphenylacetamide.

Journal: Magnetic resonance in chemistry : MRC20070501

Title: Transcriptional activation by CprK1 is regulated by protein structural changes induced by effector binding and redox state.

Journal: The Journal of biological chemistry20070413

Title: Auxin response, but not its polar transport, plays a role in hydrotropism of Arabidopsis roots.

Journal: Journal of experimental botany20070101

Title: CprK crystal structures reveal mechanism for transcriptional control of halorespiration.

Journal: The Journal of biological chemistry20060922

Title: Regulation of anaerobic dehalorespiration by the transcriptional activator CprK.

Journal: The Journal of biological chemistry20041126

Title: Desulfitobacterium metallireducens sp. nov., an anaerobic bacterium that couples growth to the reduction of metals and humic acids as well as chlorinated compounds.

Journal: International journal of systematic and evolutionary microbiology20021101

Title: Cigarette smoke impairs neutrophil respiratory burst activation by aldehyde-induced thiol modifications.

Journal: Toxicology20010307

Title: Novel auxin transport inhibitors phenocopy the auxin influx carrier mutation aux1.

Journal: The Plant journal : for cell and molecular biology20010201

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