Products for Research Use Only
RegisterLogin

4-Bromophthalonitrile

CAT: 0572-TRC-B688153-1GSize: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-B688153-1GSize:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
70484-01-4
Synonyms
4-Bromo-1,2-benzenedicarbonitrile; 4-Bromo-1,2-dicyanobenzene; 4-Bromo-2-cyanobenzonitrile; 4-Bromophthalodinitrile;
Hazard Statement
No Data Available; UN number: UN3439; Packing Group: III
Smiles
Brc1ccc(C#N)c(c1)C#N
Molecular Formula
C8H3BrN2
Molecular Weight
207.03
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Bromophthalonitrile
CAS Number70484-01-4
PubChem CID11356223
IUPAC Name4-bromobenzene-1,2-dicarbonitrile
Molecular FormulaC8H3BrN2
Molecular Weight207.03
XLogP2.1
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity231
SMILES
C1=CC(=C(C=C1Br)C#N)C#N
InChI
InChI=1S/C8H3BrN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
InChIKey
ARAONWRSVQOHIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromophthalonitrile
CAS: 70484-01-4
CID: 11356223
Formula: C8H3BrN2
MW: 207.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.03
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass205.94796
Monoisotopic Mass205.94796
Topological Polar Surface Area47.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity231
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
V094202D-​Valine-​2,​3,​4,​4,​4,​4',​4',​4'-​d8
TRC-C378570-50MG4-[4-(4-Chlorophenyl)-4-hydroxypiperidine]-4-defluorohaloperidol Decanoate
TRC-C378570-5MG4-[4-(4-Chlorophenyl)-4-hydroxypiperidine]-4-defluorohaloperidol Decanoate
TRC-C378570-25MG4-[4-(4-Chlorophenyl)-4-hydroxypiperidine]-4-defluorohaloperidol Decanoate
TRC-B687462-100MG4-(4'-Bromophenyl)-4-hydroxypiperidine
TRC-C379535-100MG4-(4-Chlorophenyl)-4-hydroxycyclohexanone
TRC-C378480-5G4-(4-Chlorophenyl)-4-hydroxypiperidine
TRC-B687320-25MG4-(4-Bromophenyl)-4-dimethylaminocyclohexanone
TRC-F489665-10G4-(4-Fluorophenyl)-4-piperidinol
TRC-C379535-250MG4-(4-Chlorophenyl)-4-hydroxycyclohexanone

Alternative Products

CatalogName
431306-014-Bromophthalonitrile
PC52154,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011275-014,4',4'',4'''-Methanetetrayltetraphenol
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-014,4,4,4',4',4'-Hexafluorovaline, ethyl ester
HY-W099255-01Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
OR1001790-014,4',4'',4'''-Silanetetrayltetrabenzoic acid

Popular Products