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99-63-8

Basic Information
CAS No.: 99-63-8
Name: 1,3-Benzenedicarbonyldichloride
Molecular Structure:
Molecular Structure of 99-63-8 (1,3-Benzenedicarbonyldichloride)
Formula: C8H4Cl2O2
Molecular Weight: 203.02
Synonyms: Isophthaloylchloride (6CI,8CI);Isophthalic acidchloride;Isophthalic acid dichloride;1,3-Benzenedicarbonyl chloride;1,3-Bis(chlorocarbonyl)benzene;1,3-Di(chlorocarbonyl)benzene;Isophthalic chloride;Isophthaloyldichloride;Isophthalyl chloride;Isothaloyl chloride;NSC 41884;m-Benzenedicarbonyl chloride;m-Phthalic dichloride;m-Phthaloylchloride;m-Phthaloyl dichloride;Isophthaloyl Chloride;Isophthaloyl dichloride;
EINECS: 202-774-7
Density: 1.427 g/cm3
Melting Point: 43-44 °C(lit.)
Boiling Point: 276.7 °C at 760 mmHg
Flash Point: 131.9 °C
Solubility: reacts with water
Appearance: white crystalline mass
Hazard Symbols: CorrosiveC
Risk Codes: 21-34-37
Safety: 26-36/37/39-45-7/8-24/25
Transport Information: UN 3261 8/PG 2
PSA: 34.14000
LogP: 2.44460
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  • Isophthaloyl dichloride

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  • Casno:

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Reported in EPA TSCA Inventory.

Specification

Isophthaloyl dichloride, with the CAS NO.99-63-8, is also called Isophthalic acid dichloride; Benzene-1,3-dicarboxylic acid dichloride; 1,3-Benzenedicarbonyl chloride; m-Benzenedicarbonyl chloride; m-Phthalic dichloride. Isophthaloyl dichloride is often used as Intermediate for polymers.

Physical properties about Isophthaloyl dichloride are: (1)ACD/LogP: 1.64; (2)ACD/LogD (pH 5.5): 1.64; (3)ACD/LogD (pH 7.4): 1.64; (4)ACD/BCF (pH 5.5): 10.39; (5)ACD/BCF (pH 7.4): 10.39; (6)ACD/KOC (pH 5.5): 185.91; (7)ACD/KOC (pH 7.4): 185.91; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.571; (11)Molar Refractivity: 46.741 cm3; (12)Molar Volume: 142.25 cm3; (13)Polarizability: 18.53 10-24cm3; (14)Surface Tension: 48.2719993591309 dyne/cm; (15)Density: 1.427 g/cm3; (16)Flash Point: 131.919 °C ; (17)Enthalpy of Vaporization: 51.522 kJ/mol; (18)Boiling Point: 276.701 °C at 760 mmHg; (19)Vapour Pressure: 0.00499999988824129 mmHg at 25°C

When you are using Isophthaloyl dichloride, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
4. Keep container tightly closed and dry;
5. Avoid contact with skin and eyes;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H;
(2)InChIKey=FDQSRULYDNDXQB-UHFFFAOYSA-N;
(3)Smilesc1(cc(ccc1)C(=O)Cl)C(=O)Cl

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2221mg/kg (2221mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 47(7), Pg. 75, 1982.
rabbit LD50 oral 1175mg/kg (1175mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 47(7), Pg. 75, 1982.
rabbit LD50 skin 1410mg/kg (1410mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LC inhalation > 31gm/m3/4H (31000mg/m3)   National Technical Information Service. Vol. OTS0533736,
rat LD50 oral 2200mg/kg (2200mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 475, 1969.