CAS No.5460-29-7,N-(3-Bromopropyl)phthalimide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5460-29-7
Name:	N-(3-Bromopropyl)phthalimide
Article Data:	75

Formula:	C₁₁H₁₀BrNO₂
Molecular Weight:	268.11
Synonyms:	Phthalimide,N-(3-bromopropyl)- (6CI,7CI,8CI);(3-Bromopropyl)phthalimide;(g-Bromopropyl)phthalimide;1-Phthalimido-3-bromopropane;2-(3-Bromopropyl)-1H-isoindole-1,3(2H)-dione;2-(3-Bromopropyl)isoindole-1,3-dione;2-(3-Bromopropyl)isoindoline-1,3-dione;3-(Phthalimido)propyl bromide;3-Bromo-N-phthaloylpropylamine;N-(3-Bromopropyl)benzimidazole;N-(3-Bromopropyl)phthalimide;NSC 24937;NSC25170;
EINECS:	226-738-5
Density:	1.578 g/cm³
Melting Point:	72-74 °C(lit.)
Boiling Point:	361.4 °C at 760 mmHg
Flash Point:	172.4 °C
Appearance:	white powder
Risk Codes:	36/37/38
Safety:	22-24/25
PSA:	37.38000
LogP:	2.00550

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Specification

The IUPAC name of N-(3-Bromopropyl)phthalimide is 2-(3-bromopropyl)isoindole-1,3-dione. With the CAS registry number 5460-29-7, it is also named as 1-Phthalimido-3-bromopropane. The product's categories are N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides; Bifunctional Crosslinkers Organic Building Blocks; Carbonyl Compounds; Cyclic Imides; Linkers; Peptide Synthesis. Besides, it is white powder, which should be sealed in dark, cool and dry place at room temperature. In addition, its molecular formula is C₁₁H₁₀BrNO₂ and molecular weight is 268.11.

The other characteristics of this product can be summarized as: (1)EINECS: 226-738-5; (2)ACD/LogP: 2.85; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.85; (5)ACD/LogD (pH 7.4): 2.85; (6)ACD/BCF (pH 5.5): 85.94; (7)ACD/BCF (pH 7.4): 85.94; (8)ACD/KOC (pH 5.5): 843.58; (9)ACD/KOC (pH 7.4): 843.58; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 59.33 cm³; (15)Molar Volume: 169.8 cm³; (16)Surface Tension: 54.8 dyne/cm; (17)Density: 1.578 g/cm³; (18)Flash Point: 172.4 °C; (19)Melting Point: 72-74 °C; (20)Water Solubility: 71.1 mg/L at 25 °C; (21)Enthalpy of Vaporization: 60.73 kJ/mol; (22)Boiling Point: 361.4 °C at 760 mmHg; (23)Vapour Pressure: 2.07E-05 mmHg at 25 °C.

Preparation of N-(3-Bromopropyl)phthalimide: this chemical can be prepared by 1,3-dibromo-propane and phthalimide; potassium salt.

This reaction needs acetone for 4 hours. The yield is 59 %.

Uses of N-(3-Bromopropyl)phthalimide: it can react with 4-nitro-phenol to get N-[3-(4-nitro-phenoxy)-propyl]-phthalimide.

The yield is 83 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. Please do not breathe dust. And you should avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCBr
(2)InChI: InChI=1S/C11H10BrNO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2
(3)InChIKey: VKJCJJYNVIYVQR-UHFFFAOYSA-N