2-Dichloromethylbenzonitrile

CAT: 0127-OR1053389-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1053389-01Size:5 g

Selected

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

Quick Request Actions

CAS Number

64148-19-2

MDL Number

MFCD11499295

Purity

95%

Smiles

N#CC1=CC=CC=C1C(Cl)Cl

Chemical Information

2-(Dichloromethyl)benzonitrile

CAS Number	64148-19-2
PubChem CID	22731494
IUPAC Name	2-(dichloromethyl)benzonitrile
Molecular Formula	C8H5Cl2N
Molecular Weight	186.03
XLogP	3
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	170

SMILES

C1=CC=C(C(=C1)C#N)C(Cl)Cl

InChI

InChI=1S/C8H5Cl2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H

InChIKey

WASRSQYJNVCGFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 64148-19-2

CID: 22731494

Formula: C8H5Cl2N

MW: 186.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.03
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	184.9799046
Monoisotopic Mass	184.9799046
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	170
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

Catalog	Name
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
PC500831	2- (2,2,2-Trifluoroethoxy) benzaldehyde
PC50095	2- (2,2,2-Trifluoroethyl) naphthalene
PC4974	2,2,2-Trichloroethyl-2-fluoroacrylate
PC500825	2- (2,2,2-Trifluoroethoxy) iodobenzene

Catalog	Name
H 038-001	2'- , 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
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
022261	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
D3554-34-01	2’,2’-Difluoro-2’-deoxyuridine (2’-Deoxy-2’,2’-difluorouridine)
MBS6114780-01	2',2'-Difluoro-2'-deoxyuridine (2'-Deoxy-2',2'-difluorouridine)
BLG-H038-005	2′,2”,2”’,2””,2””’,2”””-Hexa-F-c-hexadAMP
D443501	Diethyl-2,2,2,2',2',2'-d6-amine HCl
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide