Isatoic Anhydride

1,2-Dihydro-3,1-benzoxazine-2,4-dione 1H-3,1-Benzoxazine-2,4-dione 1H-Benz[d][1,3]oxazine-2,4-dione 2-(carboxyamino)-benzoicacicyclicanhydride 2,4-Dihydro-1H-3,1-benzoxazine-2,4-dione 2,4-Dioxo-1,2-dihydro-4H-3,1-benzoxazine 2H-3,1-Benzoxazine-2,4(1H)-dione 2-Hydroxy-4H-3,1-benzoxazin-4-one 3,1-Benzoxazine-2,4(1H)-dione 4H-3,1-Benzoxazin-2,4-(1H)-dion 4H-3,1-Benzoxazin-2,4(1H)-dion 4H-3,1-Benzoxazine-2,4(1H)-dione Anthranilic acid, N-carboxy-, cyclic anhydride Benzoic acid, 2-(carboxyamino)-, cyclic anhydride Benzoicacid,2-(carboxyamino)-,cyclicanhydride Benzoxazinedione Isatoic acid anhydride NSC 104662 NSC 29555

The Isatoic acid anhydride, with its cas register number 118-48-9, has its systematic name of 2H-3,1-benzoxazine-2,4(1H)-dione. This is a kind of white prismatic crystal and is soluble in ethanol and 1,4-dioxygenhexacyclo. Besides, its product categories are including aromatic carboxylic acids, amides, anilides, anhydrides & salts. What's more, it is sensitive chemically.

The characteristics of this chemical are as following: (1)ACD/LogP: 0.91; (2)ACD/LogD (pH 5.5): 0.9; (3)ACD/LogD (pH 7.4): 0.9; (4)ACD/BCF (pH 5.5): 2.87; (5)ACD/BCF (pH 7.4): 2.87; (6)ACD/KOC (pH 5.5): 73.98; (7)ACD/KOC (pH 7.4): 73.97; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Polar Surface Area: 46.61; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 39.02 cm³; (13)Molar Volume: 116.3 cm³; (14)Polarizability: 15.47 ×10^-24 cm³; (15)Surface Tension: 51.3 dyne/cm; (16)Density: 1.402 g/cm³; (17)Exact Mass 163.026943; (18)MonoIsotopic Mass 163.026943; (19)Topological Polar Surface Area 55.4; (20)Heavy Atom Count 12; (21)Complexity 226.

The production method of this chemical is as below: This chemical could be made from the reaction when o-aminobenzoic acid meets with carbonyl chloride. Firstly, dissolve the o-aminobenzoic acid in hot water and concentrated sulfuric acid, and then still the phosgene while stirring till Isatoic Anhydride separate out immediately; Secondly, when the reaction begins to exothermal, adjust the stilling rate of phosgene, while keep the temp. no higher than 50℃; Thirdly, continue to still phosgene for about 2-4h, till the absorbing speed begin to slow down; Lastly, dry the products in the air and then dry to 100℃ to get the products.

As for its usage,  it is widely applied in many ways. It could be used as the organic synthesis; It could be used as the material of pharmaceutic, pesticide and dyeing, and then it is also the important intermediate of Bentazon.

When you deal with this chemical, you should be very cautious. Firstly, this chemical may cause inflammation to the skin or other mucous, and may cause sensitisation by skin contact. Therefore, you should take the following instructions while using this chemical. Wear suitable gloves, and then avoid contact with skin. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.   

In addition, you could convert the following datas into the molecular structure：
SMILES:O=C1OC(=O)Nc2ccccc12
InChI:InChI=1/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
InChIKey:TXJUTRJFNRYTHH-UHFFFAOYAD

The Isatoic acid anhydride, with its cas register number 118-48-9, has its systematic name of 2H-3,1-benzoxazine-2,4(1H)-dione. This is a kind of white prismatic crystal and is soluble in ethanol and 1,4-dioxygenhexacyclo. Besides, its product categories are including aromatic carboxylic acids, amides, anilides, anhydrides & salts. What's more, it is sensitive chemically.

The characteristics of this chemical are as following: (1)ACD/LogP: 0.91; (2)ACD/LogD (pH 5.5): 0.9; (3)ACD/LogD (pH 7.4): 0.9; (4)ACD/BCF (pH 5.5): 2.87; (5)ACD/BCF (pH 7.4): 2.87; (6)ACD/KOC (pH 5.5): 73.98; (7)ACD/KOC (pH 7.4): 73.97; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Polar Surface Area: 46.61; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 39.02 cm³; (13)Molar Volume: 116.3 cm³; (14)Polarizability: 15.47 ×10^-24 cm³; (15)Surface Tension: 51.3 dyne/cm; (16)Density: 1.402 g/cm³; (17)Exact Mass 163.026943; (18)MonoIsotopic Mass 163.026943; (19)Topological Polar Surface Area 55.4; (20)Heavy Atom Count 12; (21)Complexity 226.

The production method of this chemical is as below: This chemical could be made from the reaction when o-aminobenzoic acid meets with carbonyl chloride. Firstly, dissolve the o-aminobenzoic acid in hot water and concentrated sulfuric acid, and then still the phosgene while stirring till Isatoic Anhydride separate out immediately; Secondly, when the reaction begins to exothermal, adjust the stilling rate of phosgene, while keep the temp. no higher than 50℃; Thirdly, continue to still phosgene for about 2-4h, till the absorbing speed begin to slow down; Lastly, dry the products in the air and then dry to 100℃ to get the products.

As for its usage,  it is widely applied in many ways. It could be used as the organic synthesis; It could be used as the material of pharmaceutic, pesticide and dyeing, and then it is also the important intermediate of Bentazon.

When you deal with this chemical, you should be very cautious. Firstly, this chemical may cause inflammation to the skin or other mucous, and may cause sensitisation by skin contact. Therefore, you should take the following instructions while using this chemical. Wear suitable gloves, and then avoid contact with skin. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.   

In addition, you could convert the following datas into the molecular structure：
SMILES:O=C1OC(=O)Nc2ccccc12
InChI:InChI=1/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
InChIKey:TXJUTRJFNRYTHH-UHFFFAOYAD