Basic information
- CAS
61437-85-2- Standard SMILES
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1N- InChIKey
SCNVPMWFNDBBQS-ZDUSSCGKSA-N- Molecular formula
- C15H12Cl2N2
- Average molar mass
- 291.2 g/mol
- Monoisotopic mass
- 290.0377538
Names & identifiers
- Preferred name
- (2s)-(4-Amino-2-chloro-5-methylphenyl)(4-chlorophenyl)ethanenitrile
- IUPAC
- (2S)-2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
- English name
- 2-(4-Amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
- Molecular formula
- C15H12Cl2N2
- Molecular weight
- 291.18
Names & synonyms
(2s)-(4-amino-2-chloro-5-methylphenyl)(4-chlorophenyl)ethanenitrileAKOS015901162(2S)-(4-Amino-2-chloro-5-methylphenyl)(4-chlorophenyl)acetonitrileLABOTEST-BB LT00440836Closantel EP Impurity BClosantel Amino Compound2-(4-Amino-2-chloro-5-methylphenyl)(4'-CHLOROPHENYL)CYANOMETHYL TOLUENECineole Impurity?1 (Cineole EP Impurity?A)2-AMINO-4-CHLORO-5-(4'-CHLOROPHENYL) CYANOMETHYL TOLUENE4-Amino-2-chloro-α-(4-chlorophenyl)-5-methylbenzonitrile(4-amino-2-chloro-5-methylphenyl)(4-chlorophenyl)acetonitrile
Show more names
4-amino-2-chloro-alpha-(4-chlorophenyl)-5-methyl benzylcyanide
Database identifiers
- CAS
61437-85-2- PubChem CID
- 736102
- DTXSID
DTXSID60976999
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 150.5 °C · 150.5°C
- Boiling point
- 444.03 °C · 444.03°C (rough estimate)
- Density
- 1.2635 · 1.2635 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 2.46 · 2.46±0.25(Predicted)
- Water Solubility
- 2.293 mg/L · 2.293mg/L at 25℃
- LogP
- 4.12 · 4.12
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H335-H315-H319-H302-H312
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H335-H315-H319-H302-H312
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Chemistry & industry
Applications
Uses2-(4-Amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile is an impurity of Closantel Sodium Salt (C587390) Dihydrate, a broad-spectrum anthelmintic, used against nematode infection.
Suppliers40 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Hangzhou Pharma & Chem Co., Ltd.+86-0571-87040515 +8613958180668 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
Xiamen Eagle Chemical Limited Corporation+86-18900207489 · [email protected]
LUYUNJIA CHEMISTRY XIAMEN LIMITED
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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