2H-Isoindole-2-acetylchloride, 1,3-dihydro-1,3-dioxo- (6780-38-7)

The Phthalylglycyl chloride with the cas number 6780-38-7 is also called 2H-Isoindole-2-acetylchloride, 1,3-dihydro-1,3-dioxo-. The IUPAC name is 2-(1,3-dioxoisoindol-2-yl)acetyl chloride. Its EINECS registry number is 229-840-8. The molecular formula is C₁₀H₆ClNO₃. This chemical belongs to the following product categories: (1)pharmacetical; (2)Acid Halides; (3)Carbonyl Compounds; (4)Organic Building Blocks.

The properties of the chemical are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.44; (6)ACD/BCF (pH 7.4): 17.44; (7)ACD/KOC (pH 5.5): 269.36; (8)ACD/KOC (pH 7.4): 269.36; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.45 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 51.84 cm³; (15)Molar Volume: 148.6 cm³; (16)Polarizability: 20.55×10^-24cm³; (17)Surface Tension: 59.7 dyne/cm; (18)Enthalpy of Vaporization: 58.71 kJ/mol; (19)Vapour Pressure: 7.14×10^-5 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is toxic if swallowed and can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally, in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)CN2C(=O)c1ccccc1C2=O
(2)InChI: InChI=1/C10H6ClNO3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2
(3)InChIKey: RHZBRCQIKQUQHQ-UHFFFAOYAT

The toxicity data is as follows: