Products for Research Use Only
RegisterLogin

2-Nitrobenzylcyanide

CAT: 0572-TRC-N495425-1GSize: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-N495425-1GSize:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
610-66-2
Hazard Statement
No Data Available
Smiles
[O-][N+](=O)c1ccccc1CC#N
Molecular Formula
C8 H6 N2 O2
Molecular Weight
162.15
InChI
InChI=1S/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H2
Additionnal Information
IUPAC name: 2-(2-nitrophenyl)acetonitrile
Shipping Conditions
Room Temperature

Chemical Information

2-Nitrophenylacetonitrile

O-nitrophenylacetonitrile is a light brown solid. (NTP, 1992)

CAS Number610-66-2
PubChem CID11888
IUPAC Name2-(2-nitrophenyl)acetonitrile
Molecular FormulaC8H6N2O2
Molecular Weight162.15
XLogP1.8
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity213
SMILES
C1=CC=C(C(=C1)CC#N)[N+](=O)[O-]
InChI
InChI=1S/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H2
InChIKey
YPRFCQAWSNWRLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Nitrophenylacetonitrile
CAS: 610-66-2
CID: 11888
Formula: C8H6N2O2
MW: 162.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.15
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass162.042927438
Monoisotopic Mass162.042927438
Topological Polar Surface Area69.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-T790240-50MG2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
TRC-T790240-100MG2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790240-250MG2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-50MG2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
D443501Diethyl-2,2,2,2',2',2'-d6-amine HCl
TRC-T790195-2.5G2-[2-(2,2,2-Trifluoroethoxy)phenoxy]-ethanol
TRC-E945925-1GEthyl 2-(2,2,2-trifluoroethyl)-2-propenoate
TRC-T935105-100MG2-[2-(2,2,2-Trifluoroethoxy)phenoxy Ethanamine
TRC-T790195-25G2-[2-(2,2,2-Trifluoroethoxy)phenoxy]-ethanol

Alternative Products

CatalogName
MBS6096761-012-Nitrobenzylcyanide
PC1003049-012,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-0012'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-012,2,2,2'-Tetrafluoroacetophenone
OR1009873-012,2,2,2-Ethylenedinitrilotetraethanol
290342-012,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
290343-012,2,2-Trifluoroethyl 2-hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
D3554-34-012’,2’-Difluoro-2’-deoxyuridine (2’-Deoxy-2’,2’-difluorouridine)
MBS6114780-012',2'-Difluoro-2'-deoxyuridine (2'-Deoxy-2',2'-difluorouridine)
MBS6024187-012,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate

Popular Products