156001-51-3,MFCD08061920
Catalog No.:AA001ODT

156001-51-3 | 5-Bromo-2-methylbenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$9.00   $7.00
- +
5g
98%
in stock  
$11.00   $8.00
- +
10g
98%
in stock  
$19.00   $14.00
- +
25g
98%
in stock  
$41.00   $29.00
- +
100g
98%
in stock  
$160.00   $112.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001ODT
Chemical Name:
5-Bromo-2-methylbenzonitrile
CAS Number:
156001-51-3
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
MDL Number:
MFCD08061920
SMILES:
N#Cc1cc(Br)ccc1C
Properties
Properties
 
BP:
251°C at 760 mmHg  
Form:
Solid  
MP:
47-51 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
158  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Upstream Synthesis Route

[1]Patent:US2003/119670,2003,A1,

[1]Patent:US2014/194443,2014,A1,.Locationinpatent:Paragraph0391-0393

[2]Patent:WO2014/108337,2014,A1,.Locationinpatent:Page/Pagecolumn52

[1]JustusLiebigsAnnalenderChemie,1941,vol.546,p.277,291

[1]JustusLiebigsAnnalenderChemie,1941,vol.546,p.277,291

[1]Patent:US2009/203657,2009,A1,.Locationinpatent:Page/Pagecolumn48

[2]Patent:US2009/203677,2009,A1,.Locationinpatent:Page/Pagecolumn51

[3]Patent:US2009/197871,2009,A1,.Locationinpatent:Page/Pagecolumn50-51

[4]Patent:WO2005/97750,2005,A1,.Locationinpatent:Page/Pagecolumn69

[5]Patent:WO2009/100169,2009,A1,.Locationinpatent:Page/Pagecolumn127

[6]OrganicLetters,2003,vol.5,#7,p.1131-1134

[7]JournalofMaterialsChemistry,2011,vol.21,#26,p.9523-9531

[8]JustusLiebigsAnnalenderChemie,1941,vol.546,p.277,291

Downstream Synthesis Route

[1]JustusLiebigsAnnalenderChemie,1941,vol.546,p.277,291

[1]Patent:US2009/203657,2009,A1.Locationinpatent:Page/Pagecolumn48

[2]Patent:US2009/203677,2009,A1.Locationinpatent:Page/Pagecolumn51

[3]Patent:US2009/197871,2009,A1.Locationinpatent:Page/Pagecolumn50-51

[4]Patent:WO2005/97750,2005,A1.Locationinpatent:Page/Pagecolumn69

[5]Patent:WO2009/100169,2009,A1.Locationinpatent:Page/Pagecolumn127

[6]OrganicLetters,2003,vol.5,p.1131-1134

[7]JournalofMaterialsChemistry,2011,vol.21,p.9523-9531

[8]JustusLiebigsAnnalenderChemie,1941,vol.546,p.277,291

[1]OrganicLetters,2003,vol.5,p.1131-1134

[2]JournalofMaterialsChemistry,2011,vol.21,p.9523-9531

[3]Patent:EP3581561,2019,A1.Locationinpatent:Paragraph0051-0052;0257-0258

[4]Patent:US2017/362228,2017,A1.Locationinpatent:Paragraph0464;0465

[5]ACSMedicinalChemistryLetters,2018,vol.9,p.120-124

[6]Patent:US2019/300521,2019,A1.Locationinpatent:Paragraph1476-1478

[7]Patent:US2016/376283,2016,A1.Locationinpatent:Paragraph0341;0342

[8]Patent:WO2019/51265,2019,A1.Locationinpatent:Paragraph00423

[9]Patent:WO2005/97750,2005,A1.Locationinpatent:Page/Pagecolumn69-70

[10]Patent:WO2014/151761,2014,A1.Locationinpatent:Page/Pagecolumn106

[11]Patent:WO2015/89327,2015,A1.Locationinpatent:Paragraph0206

[12]Patent:US9586928,2017,B2.Locationinpatent:Page/Pagecolumn163;164

[1]OrganicLetters,2003,vol.5,p.1131-1134

[2]JustusLiebigsAnnalenderChemie,1941,vol.546,p.277,291

[3]JournalofMaterialsChemistry,2011,vol.21,p.9523-9531

[1]Patent:US2003/119670,2003,A1

Literature
Quotation Request
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Additional Info:
SDS
Related Products of 156001-51-3
Tags:156001-51-3 Molecular Formula|156001-51-3 MDL|156001-51-3 SMILES|156001-51-3 5-Bromo-2-methylbenzonitrile
Catalog No.: AA001ODT
156001-51-3,MFCD08061920
156001-51-3 | 5-Bromo-2-methylbenzonitrile
Pack Size: 1g
Purity: 95%
in stock
$9.00 $7.00
Pack Size: 5g
Purity: 98%
in stock
$11.00 $8.00
Pack Size: 10g
Purity: 98%
in stock
$19.00 $14.00
Pack Size: 25g
Purity: 98%
in stock
$41.00 $29.00
Pack Size: 100g
Purity: 98%
in stock
$160.00 $112.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001ODT
Chemical Name: 5-Bromo-2-methylbenzonitrile
CAS Number: 156001-51-3
Molecular Formula: C8H6BrN
Molecular Weight: 196.0439
MDL Number: MFCD08061920
SMILES: N#Cc1cc(Br)ccc1C
Properties
BP: 251°C at 760 mmHg  
Form: Solid  
MP: 47-51 °C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 158  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Upstream Synthesis Route
156001-51-3    90050-59-2 

[1]Patent:US2003/119670,2003,A1,

156001-51-3    74-88-4    90326-54-8 

[1]Patent:US2014/194443,2014,A1,.Locationinpatent:Paragraph0391-0393

[2]Patent:WO2014/108337,2014,A1,.Locationinpatent:Page/Pagecolumn52

917-64-6    156001-51-3    90326-54-8 

[1]JustusLiebigsAnnalenderChemie,1941,vol.546,p.277,291

156001-51-3    79669-49-1 

[1]JustusLiebigsAnnalenderChemie,1941,vol.546,p.277,291

50670-64-9    156001-51-3 

[1]Patent:US2009/203657,2009,A1,.Locationinpatent:Page/Pagecolumn48

[2]Patent:US2009/203677,2009,A1,.Locationinpatent:Page/Pagecolumn51

[3]Patent:US2009/197871,2009,A1,.Locationinpatent:Page/Pagecolumn50-51

[4]Patent:WO2005/97750,2005,A1,.Locationinpatent:Page/Pagecolumn69

[5]Patent:WO2009/100169,2009,A1,.Locationinpatent:Page/Pagecolumn127

[6]OrganicLetters,2003,vol.5,#7,p.1131-1134

[7]JournalofMaterialsChemistry,2011,vol.21,#26,p.9523-9531

[8]JustusLiebigsAnnalenderChemie,1941,vol.546,p.277,291

Downstream Synthesis Route
917-64-6    156001-51-3    90326-54-8 

[1]JustusLiebigsAnnalenderChemie,1941,vol.546,p.277,291

50670-64-9    156001-51-3 

[1]Patent:US2009/203657,2009,A1.Locationinpatent:Page/Pagecolumn48

[2]Patent:US2009/203677,2009,A1.Locationinpatent:Page/Pagecolumn51

[3]Patent:US2009/197871,2009,A1.Locationinpatent:Page/Pagecolumn50-51

[4]Patent:WO2005/97750,2005,A1.Locationinpatent:Page/Pagecolumn69

[5]Patent:WO2009/100169,2009,A1.Locationinpatent:Page/Pagecolumn127

[6]OrganicLetters,2003,vol.5,p.1131-1134

[7]JournalofMaterialsChemistry,2011,vol.21,p.9523-9531

[8]JustusLiebigsAnnalenderChemie,1941,vol.546,p.277,291

156001-51-3    156001-53-5 

[1]OrganicLetters,2003,vol.5,p.1131-1134

[2]JournalofMaterialsChemistry,2011,vol.21,p.9523-9531

[3]Patent:EP3581561,2019,A1.Locationinpatent:Paragraph0051-0052;0257-0258

[4]Patent:US2017/362228,2017,A1.Locationinpatent:Paragraph0464;0465

[5]ACSMedicinalChemistryLetters,2018,vol.9,p.120-124

[6]Patent:US2019/300521,2019,A1.Locationinpatent:Paragraph1476-1478

[7]Patent:US2016/376283,2016,A1.Locationinpatent:Paragraph0341;0342

[8]Patent:WO2019/51265,2019,A1.Locationinpatent:Paragraph00423

[9]Patent:WO2005/97750,2005,A1.Locationinpatent:Page/Pagecolumn69-70

[10]Patent:WO2014/151761,2014,A1.Locationinpatent:Page/Pagecolumn106

[11]Patent:WO2015/89327,2015,A1.Locationinpatent:Paragraph0206

[12]Patent:US9586928,2017,B2.Locationinpatent:Page/Pagecolumn163;164

939-83-3    156001-51-3 

[1]OrganicLetters,2003,vol.5,p.1131-1134

[2]JustusLiebigsAnnalenderChemie,1941,vol.546,p.277,291

[3]JournalofMaterialsChemistry,2011,vol.21,p.9523-9531

156001-51-3    90050-59-2 

[1]Patent:US2003/119670,2003,A1

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