CAS No.4887-42-7,N-Hydroxymethyl-3,4,5,6-tetrahydrophthalimide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4887-42-7
Name:	N-Hydroxymethyl-3,4,5,6-tetrahydrophthalimide

Formula:	C₉H₁₁NO₃
Molecular Weight:	181.191
Synonyms:	1-Cyclohexene-1,2-dicarboximide,N-(hydroxymethyl)- (7CI,8CI);(3,4,5,6-Tetrahydrophthalamido)methanol;(3,4,5,6-Tetrahydrophthalimido)methanol;2-(Hydroxymethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione;3,4,5,6-Tetrahydrophthalimidomethyl alcohol;N-(Hydroxymethyl)-1-cyclohexene-1,2-dicarboximide;N-(Hydroxymethyl)-3,4,5,6-tetrahydrophthalimide;
EINECS:	225-500-8
Density:	1.37 g/cm³
Melting Point:	81-85 °C(lit.)
Boiling Point:	359.3 °C at 760 mmHg
Flash Point:	171.1 °C
Appearance:	slightly yellow crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	57.61000
LogP:	0.11350

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Specification

The cas register number of N-Hydroxymethyl-3,4,5,6-tetrahydrophthalimide is 4887-42-7. It also can be called as 3,4,5,6-Tetrahydro-N-(hydroxymethyl)phthalimide and the IUPAC Name about this chemical is 2-(hydroxymethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione.

Physical properties about N-Hydroxymethyl-3,4,5,6-tetrahydrophthalimide are: (1)ACD/LogP: 0.49; (2)ACD/LogD (pH 5.5): 0.49; (3)ACD/LogD (pH 7.4): 0.49; (4)ACD/BCF (pH 5.5): 1.39; (5)ACD/BCF (pH 7.4): 1.39; (6)ACD/KOC (pH 5.5): 44.17; (7)ACD/KOC (pH 7.4): 44.17; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.61Å²; (12)Index of Refraction: 1.596; (13)Molar Refractivity: 44.73 cm³; (14)Molar Volume: 131.4 cm³; (15)Polarizability: 17.73x10^-24cm³; (16)Surface Tension: 59.5 dyne/cm; (17)Enthalpy of Vaporization: 70.03 kJ/mol; (18)Boiling Point: 359.3 °C at 760 mmHg; (19)Vapour Pressure: 1.3E-06 mmHg at 25°C.

Uses of N-Hydroxymethyl-3,4,5,6-tetrahydrophthalimide: it can be used to produce 3,4,5,6-tetrahydrophthalimidomethyl exo-tricyclo[5.2.1.02,6]decane-endo-2-carboxylate with octahydro-4,7-methano-indene-3a-carbonyl chloride at Heating. This reaction will need reagent pyridine and solvent benzene with reaction time of 91 hours. The yield is about 62%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves 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: O=C1\C2=C(/C(=O)N1CO)CCCC2
(2)InChI: InChI=1/C9H11NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h11H,1-5H2
(3)InChIKey: QQHOVRKETYPQHY-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H11NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h11H,1-5H2
(5)Std. InChIKey: QQHOVRKETYPQHY-UHFFFAOYSA-N