1-(4-Chlorophenyl)cyclopentanecarbonitrile

HCID 97384
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Basic information

CAS
64399-26-4
Standard SMILES
N#CC1(c2ccc(Cl)cc2)CCCC1
InChIKey
TXVNBTOIDITCBF-UHFFFAOYSA-N
Molecular formula
C12H12ClN
Average molar mass
205.68 g/mol
Monoisotopic mass
205.06582706

Names & identifiers

Preferred name
1-(4-Chlorophenyl)cyclopentanecarbonitrile
IUPAC
1-(4-chlorophenyl)cyclopentane-1-carbonitrile
English name
1-(4-Chlorophenyl)-1-cyclopentanecarbonitrile
Molecular formula
C12H12ClN
Molecular weight
205.68

Names & synonyms

1-(4-Chlorophenyl)cyclopentanecarbonitrile64399-26-4EINECS 264-870-5DTXSID40214644NSC 119928RefChem:74466DTXCID70137135264-870-51-(4-chlorophenyl)cyclopentane-1-carbonitrileMFCD000192741-(4-CHLOROPHENYL)-1-CYCLOPENTANECARBONITRILECyclopentanecarbonitrile, 1-(4-chlorophenyl)-
Show more names
NSC119928Cyclopentanecarbonitrile,1-(4-chlorophenyl)-SCHEMBL15862739ALBB-023433STL355270AKOS000298367NSC-119928LS-07370

Database identifiers

CAS
64399-26-4
PubChem CID
97384
DTXSID
DTXSID40214644
EC Number
264-870-5
Nikkaji
J126.348J

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Boiling point
140 · 140.0-141.5 °C(Press: 5 Torr)
Density
1.1611 g/cm3 · 1.1611 g/cm3
storage temp.
Store at room temperature
Appearance
White to off-white Solid

Chemistry & industry

Upstream & downstream products

Suppliers20 total

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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