Cas no 180150-18-9 (Benzeneacetonitrile,4-amino-2-chloro-)

Benzeneacetonitrile,4-amino-2-chloro- is a chlorinated aromatic nitrile compound featuring both amino and cyano functional groups. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceuticals, agrochemicals, and specialty chemicals. The presence of reactive sites (amino and chloro groups) enables selective modifications, facilitating the synthesis of complex molecules. Its stability under standard conditions ensures reliable handling and storage. The compound’s purity and well-defined chemical properties make it suitable for precision-driven processes, such as heterocyclic synthesis or functional group transformations. Researchers value its consistent performance in nucleophilic substitution and condensation reactions, underscoring its utility in advanced organic synthesis.

Benzeneacetonitrile,4-amino-2-chloro- structure

180150-18-9 structure

Product Name:Benzeneacetonitrile,4-amino-2-chloro-

CAS No:180150-18-9

MF:C₈H₇ClN₂

MW:166.607580423355

MDL:MFCD08272058

CID:113367

PubChem ID:18621976

Update Time:2025-05-27

Benzeneacetonitrile,4-amino-2-chloro- Chemical and Physical Properties

Names and Identifiers

- Benzeneacetonitrile,4-amino-2-chloro-
- 2-(4-AMINO-2-CHLOROPHENYL)ACETONITRILE
- 3-chloro-4-cyanomethylaniline
- Benzeneacetonitrile,4-amino-2-chloro
- (4-Amino-2-chloro-phenyl)-acetonitrile
- RLBHCLJUVIJFNB-UHFFFAOYSA-N
- DTXSID30595212
- SCHEMBL5652811
- 180150-18-9
- AKOS006285776
- Benzeneacetonitrile, 4-amino-2-chloro-
- (4-Amino-2-chlorophenyl)acetonitrile
- AB44259
- MDL： MFCD08272058
- Inchi： 1S/C8H7ClN2/c9-8-5-7(11)2-1-6(8)3-4-10/h1-2,5H,3,11H2
- InChI Key： RLBHCLJUVIJFNB-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1CC#N)N

Computed Properties

Exact Mass: 166.03000
Monoisotopic Mass: 166.0297759g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 11
Rotatable Bond Count: 1
Complexity: 172
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.8
Topological Polar Surface Area: 49.8?2

Experimental Properties

PSA: 49.81000
LogP: 2.56948

Benzeneacetonitrile,4-amino-2-chloro- Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
eNovation Chemicals LLC	K73179-1g	2-(4-AMINO-2-CHLOROPHENYL)ACETONITRILE	180150-18-9	95%	1g	$650	2024-06-09
eNovation Chemicals LLC	K73179-1g	2-(4-AMINO-2-CHLOROPHENYL)ACETONITRILE	180150-18-9	95%	1g	$650	2025-02-25
eNovation Chemicals LLC	K73179-2g	2-(4-AMINO-2-CHLOROPHENYL)ACETONITRILE	180150-18-9	95%	2g	$875	2025-02-25
eNovation Chemicals LLC	K73179-1g	2-(4-AMINO-2-CHLOROPHENYL)ACETONITRILE	180150-18-9	95%	1g	$650	2025-03-03
eNovation Chemicals LLC	K73179-2g	2-(4-AMINO-2-CHLOROPHENYL)ACETONITRILE	180150-18-9	95%	2g	$875	2025-03-03
eNovation Chemicals LLC	K73179-2g	2-(4-AMINO-2-CHLOROPHENYL)ACETONITRILE	180150-18-9	95%	2g	$875	2025-03-03
eNovation Chemicals LLC	K73179-1g	2-(4-AMINO-2-CHLOROPHENYL)ACETONITRILE	180150-18-9	95%	1g	$650	2025-03-03