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6575-00-4,MFCD00001800
Catalog No.:AA003IJ0
6575-00-4 | 3,5-Dichlorobenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$7.00   $5.00
- +
5g
97%
in stock  
$11.00   $8.00
- +
25g
97%
in stock  
$20.00   $14.00
- +
100g
97%
in stock  
$74.00   $52.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IJ0
Chemical Name:
3,5-Dichlorobenzonitrile
CAS Number:
6575-00-4
Molecular Formula:
C7H3Cl2N
Molecular Weight:
172.0114
MDL Number:
MFCD00001800
IUPAC Name:
3,5-dichlorobenzonitrile
InChI:
InChI=1S/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChI Key:
PUJSUOGJGIECFQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)cc(c1)Cl
EC Number:
229-495-3
NSC Number:
109596
Properties
Computed Properties
 
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.964g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.008g/mol
Monoisotopic Mass:
170.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
3,5-dichlorobenzonitrile 
3,5-Dichlorobenzonitrile 
NSC109596 
PubChem4752 
3,5-dichlorobenzonitril 
AI3-34463 
AC1Q1GOS 
AC1L30IF 
ACMC-1B8N0 
KSC354E0L 
CHEMBL51500 
SCHEMBL633226 
6575-00-4 
CTK2F4205 
DTXSID00215950 
ZINC159427 
ANW-35085 
CL8178 
SBB055491 
AKOS009158189 
AC-4362 
AS02654 
CD-1118 
Benzonitrile, 3,5-dichloro- 
CM13029 
MCULE-7386268741 
NSC-109596 
TRA0042510 
WT81591 
AJ-15497 
AK109024 
AN-12042 
AS-14514 
BC203428 
3,5-Dichloro-benzonitrile 
CJ-01888 
EN002122 
L445 
SC-06118 
ZB007242 
AB0003562 
DB-022030 
RT-001400 
ST2417278 
TL8004663 
3,5-dichlorobenzenecarbonitrile 
D3261 
FT-0614559 
ST50308522 
M-2781 
575D004 
I01-0698 
W-104788 
Z1696861479 
InChI=1/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3 
C7H3Cl2N 
MFCD00001800 
C7-H3-Cl2-N 
CID81052 
AR-1E9598 
ACN-051459 
C3326 
3,5-Dichlorobenzonitrile, 98% - 25G 25g 
1809-10-5 
67939-22-4 
3,5-Dichlorobenzonitrile, 97% 
PUJSUOGJGIECFQ-UHFFFAOYSA-N 
EINECS 229-495-3 
Literature

Title: Primary effect of bromoxynil to induce plant cell death may be cytosol acidification.

Journal: Journal of plant research 20080301

Title: Nitrobenzene compounds inhibit expression of VCAM-1.

Journal: Bioorganic & medicinal chemistry letters 20010723

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