CAS No.3481-09-2,N-Chlorophthalimide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3481-09-2
Name:	N-Chlorophthalimide
Article Data:	22

Formula:	C₈H₄ClNO₂
Molecular Weight:	181.578
Synonyms:	Phthalimide,N-chloro- (6CI,7CI,8CI);NSC 76078;Phthalimidoyl chloride;Phthalimide chloride;
EINECS:	222-459-8
Density:	1.56 g/cm³
Melting Point:	188-198 °C(lit.)
Boiling Point:	315.1 °C at 760 mmHg
Flash Point:	144.4 °C
Appearance:	white to pale yellow powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	37.38000
LogP:	1.37430

Synthetic route

: 136918-14-4
phthalimide

: 3481-09-2
N-chlorophthalimide

Conditions

Conditions	Yield
With trichloroisocyanuric acid In water at 20℃; for 1h;	98%
With lead(IV) acetate; aluminium trichloride In acetonitrile for 3h; Heating;	88%
With aluminum (III) chloride; lead(IV) tetraacetate In acetonitrile at 20℃; for 20h; Reflux; Inert atmosphere;	71%

: 1074-82-4
potassium phtalimide

: 3481-09-2
N-chlorophthalimide

Conditions

Conditions	Yield
With chlorine In tetrachloromethane; water	94%
With acetic acid In water	92.5%
With chlorine In water 1) 0 deg C, 2) r.t., 60 min;	63%

: 33081-78-6
sodium phthalimide

: 3481-09-2
N-chlorophthalimide

Conditions

Conditions	Yield
In dichloromethane	90%

: 57315-37-4
1,4-dimethoxyphthalazine

A: 3481-09-2
N-chlorophthalimide

B: 2-chloro-4-methoxyphthalazin-1-one

Conditions

Conditions	Yield
With trichloroisocyanuric acid In acetonitrile for 48h; Solvent; Reflux; Inert atmosphere;	A 49% B n/a
With trichloroisocyanuric acid In acetonitrile for 48h; Reflux; Inert atmosphere;	A 34% B 26%

: 2-chloro-4-methoxyphthalazin-1-one

: 3481-09-2
N-chlorophthalimide

Conditions

Conditions	Yield
With trichloroisocyanuric acid; tetrabutyl-ammonium chloride In acetonitrile for 24h; Reagent/catalyst; Reflux; Inert atmosphere;	45%

: 1875-48-5
N-aminophthalamide

: 3481-09-2
N-chlorophthalimide

Conditions

Conditions	Yield
With trichloroisocyanuric acid In acetonitrile for 48h; Reflux; Inert atmosphere;	10%

: 136918-14-4
phthalimide

: 507-40-4
tert-butylhypochlorite

: 3481-09-2
N-chlorophthalimide

Conditions

Conditions	Yield
With water; tert-butyl alcohol

: 136918-14-4
phthalimide

: 7732-18-5
water

: 13898-47-0
hypochloric acid

: 3481-09-2
N-chlorophthalimide

...Expand

phthalimide sodium: phthalimide sodium

: 3481-09-2
N-chlorophthalimide

Conditions

Conditions	Yield
With water; chlorine at 8℃;
With water; chlorine at 8℃;

: 67-66-3
chloroform

: 33081-78-6
sodium phthalimide

: 7782-50-5
chlorine

: 3481-09-2
N-chlorophthalimide

...Expand

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Specification

The 1H-Isoindole-1, 3(2H)-dione, 2-chloro-, with the CAS registry number of 3481-09-2, is also known as N-Chlorophthalimide and 2-Chloro-1H-isoindole-1, 3(2H)-dione. It belongs to the product categories of Heterocycles; Chlorination; Halogenation; N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides; Synthetic Organic Chemistry; Carbonyl Compounds; Cyclic Imides; Organic Building Blocks. Its EINECS registry number is 222-459-8. This chemical's molecular formula is C₈H₄ClNO₂ and molecular weight is 181.58. What's more, its IUPAC name is 2-Chloroisoindole-1, 3-dione. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should avoid contact with light.

Physical properties about 1H-Isoindole-1, 3(2H)-dione, 2-chloro- are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 8.99; (6)ACD/BCF (pH 7.4): 8.99; (7)ACD/KOC (pH 5.5): 167.58; (8)ACD/KOC (pH 7.4): 167.58; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 42.9 cm³; (15)Molar Volume: 116.1 cm³; (16)Polarizability: 17.01×10^-24 cm³; (17)Surface Tension: 63.6 dyne/cm; (18)Density: 1.56 g/cm³; (19)Flash Point: 144.4 °C; (20)Enthalpy of Vaporization: 55.63 kJ/mol; (21)Boiling Point: 315.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000447 mmHg at 25 °C; (23)Melting Point: 188-198 °C(lit. ).

Preparation: this chemical is prepared by Phthalimide potassium salt. The reaction needs reagent Cl₂ and solvent H₂O. This reaction needs two steps, the reaction conditions are 1)0 °C; 2)r.t., 60 min. The yield is about 63 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-(1-Methyl-1H-pyrrol-2-yl)-isoindole-1, 3-dione. The reaction needs reagent NaHCO₃ and solvent CHCl₃. The reaction time is 4 hours. Other conditions of this reaction are other N-substityted pyrroles; other N-chloro derivatives; no base. The yield is about 81 % (Spectr.).

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. 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=C2c1ccccc1C(=O)N2Cl
(2) InChI: InChI=1/C8H4ClNO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H
(3) InChIKey: WDRFYIPWHMGQPN-UHFFFAOYAS