Propanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis-

HCID 73696CAS 1518-15-6
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CC(C#N)=C1CCC(=C(C#N)C#N)CC1
InChIKey
NXQNMVFWIRBUHX-UHFFFAOYSA-N
Molecular formula
C12H8N4
Average molar mass
208.22 g/mol
Monoisotopic mass
208.07489626

Names & identifiers

Preferred name
Propanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis-
IUPAC
2-[4-(dicyanomethylidene)cyclohexylidene]propanedinitrile
English name
(1,4-Cyclohexanediylidene)-dimalononitrile
Molecular formula
C12H8N4
Molecular weight
208.22

Names & synonyms

Propanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis-EINECS 216-173-2NSC 57669BRN 2213739delta1,alpha:4,alpha'-Cyclohexanedimalonitrile2,2'-(1,4-Cyclohexanediylidene)bismalononitriledelta(sup1alpha:4alpha')Cyclohexanedimalononitriledelta(1,alpha:4,alpha')-CyclohexanedimalononitrileDTXSID0061747delta1,alpha:4,alpha'-Cyclohexanedimalononitriledelta(sup 1-alpha,4-alpha')-CyclohexanedimalononitrileRefChem:868890
Show more names
(Cyclohexane-1,4-diylidene)dimalononitrileTIMTEC-BB SBB0081971 4-BIS(DICYANOMETHYLENE)CYCLOHEXANE(1,4-Cyclohexylidene)dimalononitrile2,2'-(1,4-CYCLOHEXANEDIYLIDENE)-BISPROPANEDINITRILE2-[4-(dicyanomethylene)cyclohexylidene]malononitriledelta(sup1-alpha,4-alpha’)-cyclohexanedimalononitrile
DTXCID2034914delta1,alpha:4,alpha'-Cyclohexanedimalononitrile (8CI)216-173-21518-15-61,4-Bis(dicyanomethylene)cyclohexane(1,4-Cyclohexanediylidene)-dimalononitrile2-[4-(dicyanomethylidene)cyclohexylidene]propanedinitrilePropanedinitrile,2,2'-(1,4-cyclohexanediylidene)bis-

Database identifiers

CAS
1518-15-6
PubChem CID
73696
DTXSID
DTXSID0061747
UNII
2HN6WU4Q95
EC Number
216-173-2
Nikkaji
J23.551B

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
95.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
16

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

Physicochemical properties

Melting point
216 · 216-217 °C
Boiling point
337.41 °C · 337.41°C (rough estimate)
Density
1.276 · 1.2760 (rough estimate)
refractive index
1.5 · 1.5000 (estimate)
storage temp.
Store at room temperature
Appearance
Yellow to brown Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Safety data

tsca
TSCA listed
Toxicity
LD50 ivn-mus: 56 mg/kg CSLNX* NX#05268
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H317
Precautionary statements
P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanedinitrile, 2,2'-(1,4-cyclohexanediylidene)bis-: INACTIVE

Suppliers19 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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