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CAS No.: | 17564-64-6 |
---|---|
Name: | N-(Chloromethyl)phthalimide |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C9H6ClNO2 |
Molecular Weight: | 195.605 |
Synonyms: | Phthalimide,N-(chloromethyl)- (6CI,7CI,8CI);Chloromethylphthalimide;NSC 29558; |
EINECS: | 241-541-4 |
Density: | 1.448 g/cm3 |
Melting Point: | 131-135 °C |
Boiling Point: | 305.2 °C at 760 mmHg |
Flash Point: | 138.4 °C |
Solubility: | slightly soluble in water |
Appearance: | white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 37.38000 |
LogP: | 1.41680 |
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The IUPAC name of 1H-Isoindole-1,3(2H)-dione,2-(chloromethyl)- is 2-(chloromethyl)isoindole-1,3-dione. With the CAS registry number 17564-64-6, it is also named as N-(Chloromethyl)phthalimide. The product's categories are Analytical Chemistry; Carboxyl Group Labeling Reagents for HPLC; HPLC Labeling Reagents; N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides; UV Detection (HPLC Labeling Reagents); Carbonyl Compounds; Cyclic Imides; Organic Building Blocks. Besides, it is white crystalline powder, which should be stored in a closed, dark, dry and ventilated place. In addition, its molecular formula is C9H6ClNO2 and molecular weight is 195.60.
The other characteristics of this product can be summarized as: (1)EINECS: 241-541-4; (2)ACD/LogP: 1.79; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.79; (5)ACD/LogD (pH 7.4): 1.79; (6)ACD/BCF (pH 5.5): 13.46; (7)ACD/BCF (pH 7.4): 13.46; (8)ACD/KOC (pH 5.5): 223.77; (9)ACD/KOC (pH 7.4): 223.77; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 47.18 cm3; (15)Molar Volume: 135 cm3; (16)Surface Tension: 55.2 dyne/cm; (17)Density: 1.448 g/cm3; (18)Flash Point: 138.4 °C; (19)Melting Point: 131-135 °C; (20)Enthalpy of Vaporization: 54.56 kJ/mol; (21)Boiling Point: 305.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000835 mmHg at 25 °C.
Preparation of 1H-Isoindole-1,3(2H)-dione,2-(chloromethyl)-: first, you can produce Phthalimide by the reaction of Phthalic anhydride with Ammonium bicarbonate. And then you would obtain this chemical by hydroxylation and chlorination.
Uses of 1H-Isoindole-1,3(2H)-dione,2-(chloromethyl)-: this chemical is a pesticide intermediate. Additionally, it can react with 1-trimethylsilanyl-pyrrolidin-2-one to get 2-(2-oxo-pyrrolidin-1-ylmethyl)-isoindole-1,3-dione.
This reaction will occur at temperature of 190 °C. The yield is 52 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCl
(2)InChI: InChI=1S/C9H6ClNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2
(3)InChIKey: JKGLRGGCGUQNEX-UHFFFAOYSA-N