CAS No.99-63-8,1,3-Benzenedicarbonyl chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	99-63-8
Name:	1,3-Benzenedicarbonyl chloride
Article Data:	121

Formula:	C₈H₄Cl₂O₂
Molecular Weight:	203.025
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:	C
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

Synthetic route

: 121-91-5
isophthalic acid

: 99-63-8
benzene-1,3-dicarbonyl dichloride

Conditions

Conditions	Yield
With thionyl chloride at 80℃; for 4h;	100%
With thionyl chloride In N,N-dimethyl acetamide; acetonitrile at 120℃; for 1h; Solvent; Large scale;	99.4%
With thionyl chloride In N,N-dimethyl-formamide	98%

: 75-44-5
phosgene

: 121-91-5
isophthalic acid

A: 1459-93-4
dimethyl Isophthalate

B: 99-63-8
benzene-1,3-dicarbonyl dichloride

Conditions

Conditions	Yield
With pyridine In dichloromethane	A n/a B 100%

...Expand

: 108-38-3
m-xylene

A: 99-63-8
benzene-1,3-dicarbonyl dichloride

B: 1711-06-4
3-Methylbenzoyl chloride

Conditions

Conditions	Yield
Stage #1: m-xylene With N-hydroxyphthalimide; cobalt(II) phthalocyanine; μ-oxo[manganese(III) tetraphenylporphine]2; oxygen at 135℃; under 3750.38 Torr; Stage #2: With thionyl chloride Reagent/catalyst; Temperature; Pressure;	A 8.4% B 65.7%
Stage #1: m-xylene With manganese(IV) oxide; oxygen; cobalt(II) diacetate tetrahydrate at 156℃; under 7500.75 Torr; Stage #2: With thionyl chloride Reagent/catalyst; Temperature; Pressure;	A 58% B 25%

: 1459-93-4
dimethyl Isophthalate

: 99-63-8
benzene-1,3-dicarbonyl dichloride

Conditions

Conditions	Yield
With chlorine at 220℃;

: 881-99-2
1,3-bis-trichloromethyl-benzene

: 99-63-8
benzene-1,3-dicarbonyl dichloride

Conditions

Conditions	Yield
With water; iron(III) chloride at 130℃;
With titanium(IV) oxide at 270℃;
With maleic acid; zinc(II) chloride at 130℃;
With iron(III) chloride at 110℃; for 1h; Temperature;
With iron(III) chloride; isophthalic acid In melt at 100 - 110℃;

: 121-91-5
isophthalic acid

: 75-36-5
acetyl chloride

: 99-63-8
benzene-1,3-dicarbonyl dichloride

Conditions

Conditions	Yield
at 130℃;
at 130℃;

: 121-91-5
isophthalic acid

: 881-99-2
1,3-bis-trichloromethyl-benzene

: 99-63-8
benzene-1,3-dicarbonyl dichloride

Conditions

Conditions	Yield
iron(III) chloride In benzene at 80℃; Rate constant; Kinetics; Mechanism; activation energy, reaction order;

: 64-17-5
ethanol

: 121-91-5
isophthalic acid

A: 2425-96-9
diethyl 3,3'-(1,3,4-oxadiazole-2,5-diyl)dibenzoate

B: 99-63-8
benzene-1,3-dicarbonyl dichloride

Conditions

Conditions	Yield
Yield given. Multistep reaction;	A n/a B 4.2 g

...Expand

: isophthalic acid bis(trimethylsilyl)ester

: 99-63-8
benzene-1,3-dicarbonyl dichloride

Conditions

Conditions	Yield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane 1.) 0 deg C, 1 h, 2.) RT, 1 h;

: 7719-09-7
thionyl chloride

: 121-91-5
isophthalic acid

: 99-63-8
benzene-1,3-dicarbonyl dichloride

Raw Materials

1459-93-4

623-27-8

814-29-9

881-99-2

75-44-5

121-91-5

Downstream Products

579-18-0

626-17-5

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Consensus Reports

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.