2039-85-2,MFCD00000598
Catalog No.:AA00294M

2039-85-2 | 3-Chlorostyrene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97% (stabilized with TBC)
in stock  
$11.00   $8.00
- +
10g
97% (stabilized with TBC)
in stock  
$63.00   $44.00
- +
25g
97% (stabilized with TBC)
in stock  
$152.00   $106.00
- +
100g
97% (stabilized with TBC)
in stock  
$502.00   $351.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00294M
Chemical Name:
3-Chlorostyrene
CAS Number:
2039-85-2
Molecular Formula:
C8H7Cl
Molecular Weight:
138.5942
MDL Number:
MFCD00000598
SMILES:
C=Cc1cccc(c1)Cl
NSC Number:
18602
Properties
Properties
 
BP:
193.5°C at 760 mmHg  
Form:
Liquid  
MP:
-23.4°C (estimate)  
Refractive Index:
n20/D 1.562(lit.)  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
98.7  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.1  

Literature

Title: Expression and characterization of styrene monooxygenases of Rhodococcus sp. ST-5 and ST-10 for synthesizing enantiopure (S)-epoxides.

Journal: Applied microbiology and biotechnology 20121001

Title: Role of residue 87 in substrate selectivity and regioselectivity of drug-metabolizing cytochrome P450 CYP102A1 M11.

Journal: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20110801

Title: Synthesis and in vitro evaluation of pteridine analogues as monoamine oxidase B and nitric oxide synthase inhibitors.

Journal: Bioorganic & medicinal chemistry 20091101

Title: Residue size at position 87 of cytochrome P450 BM-3 determines its stereoselectivity in propylbenzene and 3-chlorostyrene oxidation.

Journal: FEBS letters 20011116

Title: Synthesis of 2,3-dihydroindoles, indoles, and anilines by transition metal-free amination of aryl chlorides.

Journal: The Journal of organic chemistry 20010223

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Additional Info:
SDS
Tags:2039-85-2 Molecular Formula|2039-85-2 MDL|2039-85-2 SMILES|2039-85-2 3-Chlorostyrene
Catalog No.: AA00294M
2039-85-2,MFCD00000598
2039-85-2 | 3-Chlorostyrene
Pack Size: 1g
Purity: 97% (stabilized with TBC)
in stock
$11.00 $8.00
Pack Size: 10g
Purity: 97% (stabilized with TBC)
in stock
$63.00 $44.00
Pack Size: 25g
Purity: 97% (stabilized with TBC)
in stock
$152.00 $106.00
Pack Size: 100g
Purity: 97% (stabilized with TBC)
in stock
$502.00 $351.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00294M
Chemical Name: 3-Chlorostyrene
CAS Number: 2039-85-2
Molecular Formula: C8H7Cl
Molecular Weight: 138.5942
MDL Number: MFCD00000598
SMILES: C=Cc1cccc(c1)Cl
NSC Number: 18602
Properties
BP: 193.5°C at 760 mmHg  
Form: Liquid  
MP: -23.4°C (estimate)  
Refractive Index: n20/D 1.562(lit.)  
Storage: Inert atmosphere;2-8℃;  
Complexity: 98.7  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 0  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.1  
Literature fold

Title: Expression and characterization of styrene monooxygenases of Rhodococcus sp. ST-5 and ST-10 for synthesizing enantiopure (S)-epoxides.

Journal: Applied microbiology and biotechnology20121001

Title: Role of residue 87 in substrate selectivity and regioselectivity of drug-metabolizing cytochrome P450 CYP102A1 M11.

Journal: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry20110801

Title: Synthesis and in vitro evaluation of pteridine analogues as monoamine oxidase B and nitric oxide synthase inhibitors.

Journal: Bioorganic & medicinal chemistry20091101

Title: Residue size at position 87 of cytochrome P450 BM-3 determines its stereoselectivity in propylbenzene and 3-chlorostyrene oxidation.

Journal: FEBS letters20011116

Title: Synthesis of 2,3-dihydroindoles, indoles, and anilines by transition metal-free amination of aryl chlorides.

Journal: The Journal of organic chemistry20010223

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