4-Nitrophenylacetonitrile

CAT: 0572-TRC-N502380-10GSize: 10 gDry Ice: NoHazardous: Yes

1 / 1

CAT#:0572-TRC-N502380-10GSize:10 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

555-21-5

Synonyms

(p-Nitrophenyl)-acetonitrile; (p-Nitrophenyl)acetonitrile; 1-(4-Nitrophenyl)acetonitrile; 4-Nitrobenzeneacetonitrile; 4-Nitrobenzyl Cyanide; 4-Nitrobenzyl Nitrile; 4-Nitrophenylacetonitrile; NSC 5396; p-Nitro-alpha-tolunitrile; p-Nitrobenzeneacetonitrile; p-Nitrobenzyl Cyanide;

Hazard Statement

Toxic if swallowed; UN number: UN2811; Packing Group: III

Smiles

[O-][N+](=O)c1ccc(CC#N)cc1

Molecular Formula

C8H6N2O2

Molecular Weight

162.15

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

p-Nitrophenylacetonitrile

CAS Number	555-21-5
PubChem CID	68386
IUPAC Name	2-(4-nitrophenyl)acetonitrile
Molecular Formula	C8H6N2O2
Molecular Weight	162.15
XLogP	1.4
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	205

SMILES

C1=CC(=CC=C1CC#N)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2

InChIKey

PXNJGLAVKOXITN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 555-21-5

CID: 68386

Formula: C8H6N2O2

MW: 162.15

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	162.15
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	162.042927438
Monoisotopic Mass	162.042927438
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
N502360	3-Nitrophenylacetonitrile
V094202	D-Valine-2,3,4,4,4,4',4',4'-d8
TRC-C378570-25MG	4-[4-(4-Chlorophenyl)-4-hydroxypiperidine]-4-defluorohaloperidol Decanoate
TRC-C378570-50MG	4-[4-(4-Chlorophenyl)-4-hydroxypiperidine]-4-defluorohaloperidol Decanoate
TRC-C378570-5MG	4-[4-(4-Chlorophenyl)-4-hydroxypiperidine]-4-defluorohaloperidol Decanoate
TRC-F489665-10G	4-(4-Fluorophenyl)-4-piperidinol
TRC-C379535-250MG	4-(4-Chlorophenyl)-4-hydroxycyclohexanone
TRC-T786010-5G	4,4,4-Trifluorobutyryl Chloride
TRC-B687320-250MG	4-(4-Bromophenyl)-4-dimethylaminocyclohexanone
TRC-C378480-100MG	4-(4-Chlorophenyl)-4-hydroxypiperidine

Alternative Products

Catalog	Name
161537-01	4-Nitrophenylacetonitrile
PC905355-01	4-Fluoro-3-nitrophenylacetonitrile
OR399026-01	3-Bromo-4-nitrophenylacetonitrile
OR399023-01	4-Bromo-2-nitrophenylacetonitrile
PC907083-01	2-Fluoro-4-nitrophenylacetonitrile
OR4825	4-Chloro-3-nitrophenylacetonitrile
DVA31575-01	3-Fluoro-4-nitrophenylacetonitrile
OR399027-01	2-Bromo-4-nitrophenylacetonitrile
N2594-02N	3-Nitrophenylacetonitrile
sc-256221	2-Nitrophenylacetonitrile

4-Nitrophenylacetonitrile

Chemical Information

Related Products

Alternative Products

Popular Products