Product Name

  • Name

    4-(DICYANOMETHYLENE)-2-METHYL-6-(4-DIMETHYLAMINOSTYRYL)-4H-PYRAN

  • EINECS 257-137-6
  • CAS No. 51325-91-8
  • Article Data5
  • CAS DataBase
  • Density 1.239 g/cm3
  • Solubility
  • Melting Point 215-220 °C(lit.)
  • Formula C19H17N3O
  • Boiling Point 446.875 °C at 760 mmHg
  • Molecular Weight 303.363
  • Flash Point 224.062 °C
  • Transport Information UN 3175 4.1/PG 2
  • Appearance red/brown crystals
  • Safety 16-26-36-7/9-36/37
  • Risk Codes 11-20-36/37/38-20/21/22-10
  • Molecular Structure Molecular Structure of 51325-91-8 (4-(DICYANOMETHYLENE)-2-METHYL-6-(4-DIMETHYLAMINOSTYRYL)-4H-PYRAN)
  • Hazard Symbols FlammableFHarmfulXn
  • Synonyms 4H-Pyran-D4,a-malononitrile,2-(p-dimethylaminostyryl)-6-methyl- (6CI);Propanedinitrile,[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-4H-pyran-4-ylidene]- (9CI);4-(Dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;4-Dicyanomethylene-6-(p-dimethylaminostyryl)-2-methyl-4H-pyran;DCM;DCM (dye);DCM 1;NK 3502;
  • PSA 60.05000
  • LogP 3.92746

4-(Dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran Specification

The 4-(Dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran, with cas registry number 51325-91-8, belongs to the following product categories: (1)electronic; (2)Electroluminescence; (3)Functional Materials. It has the systematic name of (2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-6-methyl-4H-pyran-4-ylidene)propanedinitrile. And its IUPAC name is 2-[2-[2-(4-dimethylaminophenyl)ethenyl]-6-methylpyran-4-ylidene] propanedinitrile.

Physical properties about this chemical are: (1)ACD/LogP: 6.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.723; (4)ACD/LogD (pH 7.4): 6.987; (5)ACD/BCF (pH 5.5): 65386.895; (6)ACD/BCF (pH 7.4): 119928.859; (7)ACD/KOC (pH 5.5): 81717.555; (8)ACD/KOC (pH 7.4): 149881.609; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 60.05 Å2; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 93.44 cm3; (15)Molar Volume: 244.821 cm3; (16)Polarizability: 37.042×10-24cm3; (17)Surface Tension: 64.625 dyne/cm; (18)Enthalpy of Vaporization: 70.511 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Firstly, the 4-(Dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Secondly, this chemical is flammable, so keep it away from sources of ignition. What's more,  keep its container tightly closed and in a well-ventilated place.

You can still convert the following datas into molecular structure: 
(1)SMILES: CC1=CC(=C(C#N)C#N)C=C(O1)/C=C/c2ccc(cc2)N(C)C
(2)InChI: InChI=1/C19H17N3O/c1-14-10-16(17(12-20)13-21)11-19(23-14)9-6-15-4-7-18(8-5-15)22(2)3/h4-11H,1-3H3/b9-6+
(3)InChIKey: YLYPIBBGWLKELC-RMKNXTFCBR
(4)Std. InChI: InChI=1S/C19H17N3O/c1-14-10-16(17(12-20)13-21)11-19(23-14)9-6-15-4-7-18(8-5-15)22(2)3/h4-11H,1-3H3/b9-6+
(5)Std. InChIKey: YLYPIBBGWLKELC-RMKNXTFCSA-N

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