Isophthaloyl dichloride supplier

Name
1,3-Benzenedicarbonyl chloride
EINECS 202-774-7
CAS No. 99-63-8
Article Data121
CAS DataBase
Density 1.427 g/cm³
Solubility reacts with water
Melting Point 43-44 °C(lit.)
Formula C₈H₄Cl₂O₂
Boiling Point 276.7 °C at 760 mmHg
Molecular Weight 203.025
Flash Point 131.9 °C
Transport Information UN 3261 8/PG 2
Appearance white crystalline mass
Safety 26-36/37/39-45-7/8-24/25
Risk Codes 21-34-37
Molecular Structure
Hazard Symbols C
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;
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

: 121-91-5
isophthalic acid

: 10026-13-8, 874483-75-7
phosphorus pentachloride

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

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

titanium (IV)-oxide: titanium (IV)-oxide

vanadium(V)-oxide: vanadium(V)-oxide

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

Conditions

Conditions	Yield
at 270℃;

...Expand

: 814-29-9
Tributylphosphine oxide

: 121-91-5
isophthalic acid

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

Conditions

Conditions	Yield
With thionyl chloride

: 626-19-7
Isophthalaldehyde

: 623-27-8
terephthalaldehyde,

A: 100-20-9
terephthaloyl chloride

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

Conditions

Conditions	Yield
With chlorine at 43℃; for 0.5h; Product distribution / selectivity; visible light irradiation;

...Expand

: 108-38-3
m-xylene

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: chlorine / 14 h / 60 - 180 °C 2: iron(III) chloride / 1 h / 110 °C View Scheme
Multi-step reaction with 2 steps 1: chlorine / 80 - 180 °C / Irradiation; Industrial scale 2: isophthalic acid; iron(III) chloride / melt / 100 - 110 °C View Scheme

: 56-40-6
glycine

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

: 124842-39-3
[(3-{[(carboxymethyl)amino]carbonyl}benzoyl)amino]acetic acid

Conditions

Conditions	Yield
Stage #1: glycine With sodium hydroxide In water at 10℃; Cooling with ice; Stage #2: benzene-1,3-dicarbonyl dichloride In water; toluene for 1h; pH=1;	100%
With sodium hydroxide In diethyl ether	87%
With sodium hydroxide
With sodium hydroxide

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

: 1099-45-2
ethyl (triphenylphosphoranylidene)acetate

: 1,3-bis[(ethoxycarbonyl)(triphenylphosphoranylidene)acetyl]benzene

Conditions

Conditions	Yield
With triethylamine In toluene at 20℃; for 12h; Acylation; transylidation;	100%

: 2026-48-4
(S)-valinol

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

: 475110-08-8
N,N'-bis-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-isophthalamide

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 12h;	100%
With triethylamine In dichloromethane at 20℃; for 12h;	95%
With triethylamine In dichloromethane at 0 - 25℃; for 8h;	69%

: 3182-95-4
L-Phenylalaninol

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

: 475110-10-2
N1,N3-bis[(S)-1-hydroxy-3-phenylpropan-2-yl]isophthalamide

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 12h;	100%
With triethylamine In dichloromethane at 0 - 25℃; for 8h;	70%
With triethylamine In dichloromethane at 0 - 20℃;	53%

: 93324-65-3
1-methylaminopyrene hydrochloride

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

: N,N'-bis(1-pyrenylmethyl)isophthalamide

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran Reflux;	100%
With triethylamine In dichloromethane at 20℃;	54%

: 83558-87-6
2,2-bis(3-amino-4-hydroxyphenyl)hexafluoropropane

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

: 7158-32-9
4,4'-bis(chlorocarbonyl)diphenyl oxide

poly(hexafluoro-2,2-bis(3-amino-4-hydroxyphenyl)propane-co-isophthaloyl chloride-co-4,4-oxydibenzoyl chloride): poly(hexafluoro-2,2-bis(3-amino-4-hydroxyphenyl)propane-co-isophthaloyl chloride-co-4,4-oxydibenzoyl chloride)

Conditions

Conditions	Yield
With pyridine In 1-methyl-pyrrolidin-2-one at 0 - 20℃;	100%

...Expand

: 333-20-0
potassium thioacyanate

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

: 70112-91-3
1,3-benzenedicarbonyl diisothiocyanate

Conditions

Conditions	Yield
In acetone at 20℃; for 1h;	100%
In benzene at 110 - 120℃; for 6h; Reflux;
In acetone at 20℃; for 1h;

: 5,10,15-tri[p-(9-methoxytriethylenenoxy)phenyl]-20-[p-hydroxyphenyl]porphyrin

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

: 5,10,15-tri[p-(9-methoxytriethyleneoxy)phenyl]-20-[p-phenylisophthalate chloride]porphyrin

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 20℃; for 24h;	100%

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

: 71-43-2
benzene

: 3770-82-9
1,3-dibenzoylbenzene

Conditions

Conditions	Yield
With aluminium trichloride at 23℃; for 20h; Friedel-Crafts acylation;	99%
With aluminium trichloride
With aluminum (III) chloride Friedel Crafts acylation;
With aluminum (III) chloride
With aluminum (III) chloride at 20 - 60℃; for 20h; Inert atmosphere; Darkness;	10.52 g

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

: 108-95-2
phenol

: 744-45-6
diphenyl isophthalate

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride In cyclohexane at 25℃; for 4h; Concentration; Temperature; Reflux;	98.87%
With N-benzyl-N,N,N-triethylammonium chloride In ethanol at 10℃; for 3h; Temperature; Reflux;	98.91%
With potassium carbonate In 1,2-dichloro-ethane at 10℃; for 4h; Concentration; Temperature; Solvent; Reagent/catalyst;	92.1%
In chloroform at 20℃; for 4.5h; Temperature; Concentration;	89.7%

: 288-88-0
1,2,4-Triazole

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

: isophthaloyl bis(1,2,4-triazole)

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 1.5h;	98.8%

: 288-88-0
1,2,4-Triazole

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

: isophthaloyl bis(1,2,4-triazole)

Conditions

Conditions	Yield
In dichloromethane for 1.5h;	98.8%
With triethylamine In toluene for 36h; Schlenk technique; Inert atmosphere; Reflux;	54%

: 462-06-6
fluorobenzene

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

: 108464-88-6
1,3-bis(4'-fluorobenzoyl)benzene

Conditions

Conditions	Yield
With aluminium trichloride at 23℃; for 4h; Friedel-Crafts acylation;	98%
Stage #1: benzene-1,3-dicarbonyl dichloride With aluminum (III) chloride In dichloromethane for 0.5h; Friedel-Crafts Acylation; Inert atmosphere; Reflux; Stage #2: fluorobenzene In dichloromethane for 12h; Friedel-Crafts Acylation; Inert atmosphere;	56%
Stage #1: benzene-1,3-dicarbonyl dichloride With aluminum (III) chloride In dichloromethane for 0.5h; Reflux; Stage #2: fluorobenzene In dichloromethane for 12h; Reflux;	42%
With aluminum (III) chloride for 8h; Friedel-Crafts Acylation; Inert atmosphere;	3.24 g

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

: 3027-36-9
isophthaloyl diazide

Conditions

Conditions	Yield
With sodium azide In tetrahydrofuran; water for 1h; cooling;	98%
With sodium azide In N,N-dimethyl-formamide at 20℃; for 2h;
With sodium azide In tetrahydrofuran; water for 2h; Cooling with ice;

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

: 3,3-diphenyl-9-hydroxy-3H-naphtho[2,1-b]pyran

: 1029134-36-8
bis(3,3-biphenyl-3H-benzo[f]chromene-9-yl) isophthalic acid ester

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 12h;	98%

: 1576-35-8
toluene-4-sulfonic acid hydrazide

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

: C22H22N4O6S2

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 2h;	98%

: 36768-62-4
4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINE

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

: 42774-15-2
N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-1,3-benzenedicarboxamide

Conditions

Conditions	Yield
With aluminum (III) chloride; sodium hydroxide In toluene at 110℃; Concentration;	97.38%
With sodium hydroxide In water; isopropyl alcohol at 30 - 130℃; under 1125.11 - 2475.25 Torr; Alkaline aqueous solution;	95.3%
With sodium hydroxide In chloroform Solvent; Reflux;	94.9%
With sodium hydroxide In water at 7 - 25℃; for 3.5h; Alkaline aqueous solution;	83.6%
With sodium hydroxide In water; isopropyl alcohol at 100℃;	200 g

: 556-64-9
methyl thiocyanate

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

: 125077-78-3
2,2'-(1,3-Phenylen)bis<4,6-bis(methylthio)-1,3,5-oxadiazinium>-dihexachloroantimonat(V)

Conditions

Conditions	Yield
With antimonypentachloride In tetrachloromethane for 2h; Ambient temperature;	97%

: 13512-31-7
N-(benzyloxycarbonyl)-L-tyrosine methyl ester

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

: 226889-63-0
Isophthalic acid bis-[4-((S)-2-benzyloxycarbonylamino-2-methoxycarbonyl-ethyl)-phenyl] ester

Conditions

Conditions	Yield
With dmap In dichloromethane; acetonitrile at 20℃; for 12h; Substitution;	97%

: 539-48-0
p-xylylidenediamine

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

: (E)-But-2-enedioic acid bis-[(2,2-diphenyl-ethyl)-amide]

: [2]-(1,2,14,20-tetraaza-2,6,15,19-tetraoxo-3,5,9,12,16,18,22,25-tetrabenzocyclohexacosane)-(E)-(N,N'-bis(2',2'-diphenylethyl)-2'-butenediamide)rotaxane

Conditions

Conditions	Yield
With triethylamine In chloroform; acetonitrile	97%
With triethylamine In chloroform; acetonitrile for 2h;	97%

...Expand

: 23190-16-1
(1R,2S)-2-Amino-1,2-diphenylethanol

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

: N,N'-bis((1S,2R)-2-hydroxy-1,2-diphenylethyl)isophthalamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 4h; Heating;	97%
With triethylamine In tetrahydrofuran at 20℃;	43%
With triethylamine In dichloromethane

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

: 328-74-5
3,5-Bis-(trifluoromethyl)aniline

: 181872-56-0
N1,N3-bis(3,5-bis(trifluoromethyl)phenyl)benzene-1,3-dicarboxamide

Conditions

Conditions	Yield
With triethylamine In chloroform at 40℃; for 70h;	97%
Stage #1: 3,5-Bis-(trifluoromethyl)aniline With triethylamine In N,N-dimethyl-formamide at 20℃; for 0.5h; Inert atmosphere; Stage #2: benzene-1,3-dicarbonyl dichloride In N,N-dimethyl-formamide at 20℃; for 4h; Inert atmosphere;	72%
With dmap; triethylamine In N,N-dimethyl-formamide at 0 - 75℃;	52%
With dmap; triethylamine In dichloromethane at 20℃; for 24h;	22%

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

: 4-amino-1,5-naphthalenedisulphonic acid disodium salt

: tetrasodium 4,4'-[1,3-phenylenebis(carbonylimino)]bis-1,5-naphthalenedisulfonate

Conditions

Conditions	Yield
With sodium carbonate In chloroform; water at 0 - 25℃;	97%

: 6638-79-5
N,O-dimethylhydroxylamine*hydrochloride

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

: 1458033-48-1
N1,N3-bismethoxy-N1,N3-dimethyl-1,3-benzenedicarboxamide

Conditions

Conditions	Yield
Stage #1: N,O-dimethylhydroxylamine*hydrochloride With triethylamine In dichloromethane at 0℃; Stage #2: benzene-1,3-dicarbonyl dichloride In dichloromethane at 0 - 20℃;	97%
Stage #1: N,O-dimethylhydroxylamine*hydrochloride With triethylamine In dichloromethane at 0℃; for 0.166667h; Inert atmosphere; Stage #2: benzene-1,3-dicarbonyl dichloride In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;	97%

: 99-05-8
meta-aminobenzoic acid

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

: 3,3'-(Isophthaloylbis(azanediyl))dibenzoic acid

Conditions

Conditions	Yield
With pyridine at 20℃;	97%

: 554-00-7
2,4-Dichloroaniline

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

: N,N'-bis(2,4-dichlorophenyl)isophthalamide

Conditions

Conditions	Yield
With potassium hydroxide In acetonitrile at 20℃; Inert atmosphere;	97%

: 75-64-9
tert-butylamine

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

: 82292-40-8
N1,N3-di-tert-butylisophthalamide

Conditions

Conditions	Yield
In dichloromethane for 2h; Acylation;	96%

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

: 475290-46-1
(9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl)methanol

: bis{[9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl]methyl} isophthalate

Conditions

Conditions	Yield
With dmap In dichloromethane at 20℃; for 2h;	96%

Isophthaloyl dichloride Consensus Reports

Reported in EPA TSCA Inventory.

Isophthaloyl dichloride 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.

Product Name

1,3-Benzenedicarbonyl chloride

Synthetic route

Isophthaloyl dichloride Consensus Reports

Isophthaloyl dichloride Specification

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