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Home> Encyclopedia > Hot Product Listed P   > Propanedinitrile,2-[(4-methoxyphenyl)methylene]-
2826-26-8 structure

Propanedinitrile,2-[(4-methoxyphenyl)methylene]-

Iupac Name:2-[(4-methoxyphenyl)methylidene]propanedinitrile
CAS No.:2826-26-8
Molecular Weight:184.198
Molecular Formula:C11H8N2O (isomer)
Names and Identifiers
Synonyms

((4-methoxyphenyl)methylene)methane-1,1-dicarbonitrile (4-anisylidene)malonitrile (4-methoxybenzylidene)malodinitrile (4-methoxybenzylidene)malononitrile (4-methoxybenzylidene)propanedinitrile (p-methoxybenzal)malononitrile (p-methoxybenzylidene)malononitrile .alpha.-cyano-p-methoxycinnamonitrile [(4-methoxybenzylidene)malononitrile [(4-methoxyphenyl)methylene]methane-1,1-dicarbonitrile [(4-Methoxyphenyl)methylene]propanedinitrile 1-(2,2-Dicyanoethenyl)-4-methoxybenzene 1,1-dicyano-2-(4-methoxyphenyl)ethene 2-(4-methoxybenzylidene)malononitrile 2-(4-methoxy-benzylidene)-malononitrile 2-(4-methoxybenzylidene)malononitrile # 2-[(4-Methoxyphenyl)methylene]malononitrile 2-[(4-methoxyphenyl)methylene]propanedinitrile 2-[(4-methoxyphenyl)-methylene]-propanedinitrile 2-[(4-methoxyphenyl)methylidene]propanedinitrile 2-cyano-3-(p-methoxyphenyl)acrylonitrile 4137AH 4-Methoxybenzylidenemalonodinitrile 6K-003 AB0118789 AC1L1CU0 AC1Q49KM AC1Q4PYH a-Cyano-p-methoxycinnamonitrile ag 9 AG 9 (enzyme inhibitor) ag9 ag-9 AKOS000357412 alpha-cyano-(4-methoxy)cinnamonitrile] ARONIS021285 BBL008146 bdbm4317 benzene, 1-methoxy-4-(2,2-dicyanoethenyl) benzylidenemalononitrile (bmn) deriv. 1 BIO2_000439 BIO2_000919 BIOMOLKI_000016 BIOMOLKI2_000026 BMK1-C4 BRD-K41996876-001-05-5 BSPBIO_001198 CCG-100620 CHEMBL77456 CS-3182 D0H3UI DB-047364 DTXSID10182508 EU-0101150 F0192-0840 FM 00023 gtpl5917 HMS1362L19 HMS1792L19 HMS1990L19 HMS3229M13 HMS3263F21 HMS3403L19 HMS552A07 HSCI1_000106 HY-16668 IDI1_002194 IN1438 KBIO2_000538 KBIO2_003106 KBIO2_005674 KBIO3_000975 KBIO3_000976 KBIOGR_000538 KBIOSS_000538 KS-00001YFE LOPAC0_001150 lopac-t-7040 LP01150 malononitrile, (p-methoxybenzylidene)- Malononitrile,(p-methoxybenzylidene)- (6CI,7CI,8CI) MAYBRIDGE1_003703 mfcd00019787 MOLPORT-000-933-432 NCGC00016042-01 NCGC00016042-02 NCGC00016042-03 NCGC00016042-04 NCGC00016042-05 NCGC00016042-06 NCGC00016042-07 NCGC00094413-01 NCGC00094413-02 NCGC00094413-03 NCGC00094413-04 NCGC00094413-05 NCGC00261835-01 NSC 1343 NSC 637326 nsc1343 nsc-1343 nsc637326 nsc-637326 propanedinitrile, [(4-methoxyphenyl)methylene]- Propanedinitrile,[(4-methoxyphenyl)methylene]- (9CI) SCHEMBL1982746 ST019971 STK046008 T 7040 T7625 tox21_501150 tyrphostin 1 tyrphostin 1, >=98% Tyrphostin A 1 tyrphostin a1 UOHFCPXBKJPCAD-UHFFFAOYSA-N UPCMLD0ENAT0503-7296:001 ZB001294 ZINC42475

Inchi
InChI=1S/C11H8N2O/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-6H,1H3
InChkey
UOHFCPXBKJPCAD-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)C=C(C#N)C#N
Properties
Density
1.169
Melting Point
113-116 °C(lit.)
Boiling Point
352.4°Cat760mmHg
Vapour
3.85E-05mmHg at 25°C
Refractive Index
1.589
Flash Point
148.8°C
HS Code
2926909090
Storage temp
2-8°C
Safety and Handling
Hazard Codes
Xn
Risk Statements
20/21/22
Safety Statements
36/37
Safety
Hazard Codes:Xn
Risk Statements:20/21/22
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements:36/37
36/37:Wear suitable protective clothing and gloves
WGK Germany:3
Specification

light yellow crystalline needles or crystals
Safety Statements:36/37
36/37:Wear suitable protective clothing and gloves
Precursor and Product
Computational chemical data
  • Molecular Weight:184.198g/mol
  • Molecular Formula:C11H8N2O
  • Compound Is Canonicalized:True
  • Exact Mass:184.064
  • Monoisotopic Mass:184.064
  • Complexity:289
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:56.8A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAAAAAADASBmAIyBoAABACQ BiBCAAAiCAAgIAAIiAAGCIgMpiKEMRqAMCAkwBEIqAeAwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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