CAS No.696-68-4,5-(DIMETHYLAMINOMETHYLENE)-1,3-CYCLOPENTADIENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	696-68-4
Name:	5-(DIMETHYLAMINOMETHYLENE)-1,3-CYCLOPENTADIENE
Article Data:	13

Formula:	C₈H₁₁N
Molecular Weight:	121.182
Synonyms:	NSC 55886;6-(Dimethylamino)fulvene;2,4-Cyclopentadiene-D1,a-methylamine, N,N-dimethyl- (6CI,7CI,8CI);1-(2,4-Cyclopentadien-1-ylidene)-N,N-dimethylmethanamine;1-(Cyclopenta-2,4-dien-1-yliden)-N,N-dimethylmethanamin;1-(Cyclopenta-2,4-dien-1-ylidene)-N,N-dimethylmethanamine;
Density:	1.042 g/cm³
Melting Point:	64-66 °C(lit.)
Boiling Point:	205.3 °C at 760 mmHg
Flash Point:	70.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	3.24000
LogP:	1.55790

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Specification

The CAS registry number of Methanamine,1-(2,4-cyclopentadien-1-ylidene)-N,N-dimethyl- is 696-68-4. The IUPAC name is 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylmethanamine. In addition, the molecular formula is C₈H₁₁N and the molecular weight is 121.18. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 1.57; (6)ACD/BCF (pH 7.4): 9.15; (7)ACD/KOC (pH 5.5): 28.52; (8)ACD/KOC (pH 7.4): 166.59; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 41.5 cm³; (15)Molar Volume: 116.2 cm³; (16)Polarizability: 16.45 ×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.042 g/cm³; (19)Flash Point: 70.3 °C; (20)Enthalpy of Vaporization: 44.15 kJ/mol; (21)Boiling Point: 205.3 °C at 760 mmHg; (22)Vapour Pressure: 0.252 mmHg at 25°C.

Preparation of Methanamine,1-(2,4-cyclopentadien-1-ylidene)-N,N-dimethyl-: it can be prepared by cyclopenta-1,3-diene and dimethoxymethyl-dimethyl-amine. The reaction time is 5 hours by heating. The yield is about 77%.

Uses of Methanamine,1-(2,4-cyclopentadien-1-ylidene)-N,N-dimethyl-: it can react with methyllithium to get 5-ethylidene-cyclopenta-1,3-diene. This reaction will need solvent diethyl ether. The reaction time is 5 hours by heating. The yield is about 51%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N(\C=C1\C=C/C=C1)(C)C
(2)InChI: InChI=1/C8H11N/c1-9(2)7-8-5-3-4-6-8/h3-7H,1-2H3
(3)InChIKey: UJXXVGXQTXQALL-UHFFFAOYAW