Conditions | Yield |
---|---|
With thionyl chloride for 2h; Reflux; | 100% |
With aluminum (III) chloride; Methyltrichlorosilane In tetrachloromethane at 70℃; for 13h; Temperature; Reagent/catalyst; | 99.13% |
With thionyl chloride for 5h; Reflux; | 98% |
phosgene
terephthalic acid
N,N-dimethyl-aniline
A
1,4-benzenedicarboxylic acid dimethyl ester
B
terephthaloyl chloride
Conditions | Yield |
---|---|
In dichloromethane | A n/a B 90.2% |
Conditions | Yield |
---|---|
With bis(tri-t-butylphosphine)palladium(0); benzyltriphenylphosphonium chloride In toluene at 110℃; under 38002.6 Torr; for 48h; Glovebox; Autoclave; Inert atmosphere; | 88% |
Conditions | Yield |
---|---|
Stage #1: para-xylene With 5,10,15,20-tetrakis(4-methylphenyl)porphyrinatocopper(II); C40H32MnN8; oxygen at 180℃; under 2 Torr; Stage #2: With thionyl chloride Reagent/catalyst; Temperature; Pressure; | A 59.4% B 9.3% |
Stage #1: para-xylene With 5,10,15,20-tetrakis(4-methylphenyl)porphyrinatocopper(II); C36H24MnN8; oxygen; cobalt(II) diacetate tetrahydrate at 180℃; under 15001.5 Torr; Stage #2: With thionyl chloride Reagent/catalyst; Temperature; Pressure; | A 27.1% B 37.1% |
maleic anhydride
1,4-bis(trichloromethyl)benzene
(E)-3-Ureido-but-2-enoic acid ethyl ester
terephthaloyl chloride
Conditions | Yield |
---|---|
at 140℃; |
Conditions | Yield |
---|---|
With chlorine at 220℃; | |
With chlorine In benzene for 12h; Solvent; UV-irradiation; |
Conditions | Yield |
---|---|
With titanium(IV) oxide | |
With maleic acid; zinc(II) chloride | |
With water; iron(III) chloride at 125 - 140℃; | |
With aluminium trichloride; water at 125 - 140℃; | |
at 125℃; for 1h; Temperature; |
4-trichloromethylbenzoyl chloride
terephthaloyl chloride
Conditions | Yield |
---|---|
With water; iron(III) chloride at 120 - 130℃; |
Conditions | Yield |
---|---|
With tetrachloromethane; chlorine at 250℃; |
Conditions | Yield |
---|---|
at 130℃; |
terephthalic acid
acetyl chloride
A
terephthaloyl chloride
B
terephthaloyl chloride
Conditions | Yield |
---|---|
at 130℃; | |
at 130℃; |
Conditions | Yield |
---|---|
iron(III) chloride In chlorobenzene at 115℃; Rate constant; Kinetics; Mechanism; activation energy, reaction order; |
terephthaloyl chloride
terephthaloyl chloride
Conditions | Yield |
---|---|
With thionyl chloride; N,N-dimethyl-formamide at 40℃; Kinetics; Thermodynamic data; 50, 60 deg C, E(excit.), lg A, -ΔS(excit.) at 313 K; |
Conditions | Yield |
---|---|
With oxygen In solid matrix at -263.2℃; Irradiation; var. conc. of O2; |
ethanol
terephthalic acid
A
diethyl-4,4-(1,3,4-oxadiazole-2,5-diyl)dibenzoate
B
terephthaloyl chloride
Conditions | Yield |
---|---|
Yield given. Multistep reaction; | A n/a B 4.0 g |
Conditions | Yield |
---|---|
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane 1.) 0 deg C, 1 h, 2.) RT, 1 h; |
terephthalic acid
phosphorus pentachloride
terephthaloyl chloride
terephthalic acid
2-chloro-1,3-dimethylimidazolinium chloride
terephthaloyl chloride
Conditions | Yield |
---|---|
In toluene |
1,4-benzenedicarboxylic acid dimethyl ester
Triphenylphosphine oxide
terephthaloyl chloride
Conditions | Yield |
---|---|
With pyridine In dichloromethane |
1,4-benzenedicarboxylic acid dimethyl ester
1,4-bis(trichloromethyl)benzene
benzamide
terephthaloyl chloride
terephthalaldehyde,
A
4-formylbenzoyl chloride
B
terephthaloyl chloride
Conditions | Yield |
---|---|
With chlorine at 90℃; for 3.16667h; Product distribution / selectivity; |
Conditions | Yield |
---|---|
With chlorine at 90℃; for 3.45h; Product distribution / selectivity; visible light irradiation; |
Isophthalaldehyde
terephthalaldehyde,
A
terephthaloyl chloride
B
benzene-1,3-dicarbonyl dichloride
Conditions | Yield |
---|---|
With chlorine at 43℃; for 0.5h; Product distribution / selectivity; visible light irradiation; |
disodium terephthalate
terephthaloyl chloride
Conditions | Yield |
---|---|
With thionyl chloride for 0.0833333h; |
4-iodobenzoic acid chloride
A
para-diiodobenzene
B
terephthaloyl chloride
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 100℃; for 12h; Mechanism; | A 11 %Chromat. B 7 %Chromat. |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane | 100% |
terephthaloyl chloride
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 21h; Schotten-Baumann Reaction; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
Stage #1: anthranilic acid; terephthaloyl chloride In N,N-dimethyl acetamide at 0 - 5℃; for 1h; Cooling with ice-methanol; Stage #2: With acetic anhydride In N,N-dimethyl acetamide; toluene for 1.5h; Product distribution / selectivity; Heating / reflux; | 99% |
Stage #1: anthranilic acid; terephthaloyl chloride In 1-methyl-pyrrolidin-2-one at 3 - 8℃; for 2h; Cooling with ice; Stage #2: With acetic anhydride In 1-methyl-pyrrolidin-2-one at 108 - 116℃; for 2h; Product distribution / selectivity; | 96% |
Stage #1: anthranilic acid; terephthaloyl chloride In sulfolane at 6 - 8℃; for 2h; Cooling with ice; Stage #2: With acetic anhydride In 1,4-dioxane; sulfolane for 2h; Product distribution / selectivity; Heating / reflux; | 96% |
In pyridine |
2-isopropenylaniline
terephthaloyl chloride
N,N'-Bis-(2-isopropenyl-phenyl)-terephthalamide
Conditions | Yield |
---|---|
With pyridine at 0℃; for 2h; | 99% |
terephthaloyl chloride
10-(4,5-dimethyl-1,3-dithiol-2-ylidene)-9,10-dihydro-9-(4-hydroxymethyl-5-methyl-1,3-dithiol-2-ylidene)anthracene
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; | 99% |
terephthaloyl chloride
4-hydroxymethyldibenzo-24-crown-8 ether
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 20℃; for 0.25h; | 99% |
terephthaloyl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 16h; Inert atmosphere; | 99% |
N-(tert-butoxycarbonyl)-1,4-phenylenediamine
terephthaloyl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 15h; | 99% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 98.5% |
Conditions | Yield |
---|---|
With sodium tris(tert-butoxo)aluminium hydride In tetrahydrofuran; diethylene glycol dimethyl ether at -78℃; for 3h; | 98% |
With tri-n-butyl-tin hydride; tetrakis(triphenylphosphine) palladium(0) In benzene for 0.166667h; Ambient temperature; | 87% |
With tri-n-butyl-tin hydride In 1-methyl-pyrrolidin-2-one at 20℃; Inert atmosphere; | 86% |
methyl thiocyanate
terephthaloyl chloride
2,2'-(1,4-Phenylen)bis<4,6-bis(methylthio)-1,3,5-oxadiazinium>-dihexachloroantimonat(V)
Conditions | Yield |
---|---|
With antimonypentachloride In tetrachloromethane for 2h; Ambient temperature; | 98% |
sebacoyl chloride
2,5-dimethyl-2,5-dihydroperoxyhexane
terephthaloyl chloride
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 20℃; for 1.5h; | 98% |
N-methyl-hydrazinecarbodithioic acid methyl ester
terephthaloyl chloride
Dimethyl 3,3'-terephthaloylbis-(2-methyldithiocarbazate)
Conditions | Yield |
---|---|
In toluene for 4h; Heating; | 98% |
terephthaloyl chloride
4-<<(S)-6-methyloctyl>oxy>phenol
4-<<(S)-6-methyloctyl>oxy>phenyl 4-(chloroformyl)benzoate
Conditions | Yield |
---|---|
With toluene Ambient temperature; | 98% |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran under 12 Torr; Heating; | 98% |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran under 12 Torr; Heating; | 98% |
4,4'-bis(phenoxy)benzophenone
terephthaloyl chloride
trimellitic anhydride acid chloride
polymer, ratio of trimellitic anhydride acid chloride/(terephthaloyl chloride + trimellitic anhydride acid chloride) = 30 mol percent; monomer(s): 4,4\-diphenoxybenzophenone; terephthaloyl chloride; trimellitic anhydride acid chloride
Conditions | Yield |
---|---|
With aluminium trichloride In 1,2-dichloro-ethane Friedel-Crafts copolycondensation; | 98% |
terephthaloyl chloride
1-[(2-methyl-5-methylenehydroxy-3-thienyl)]-2-[(2-methyl-5-methylenehydroxy-3-thienyl)]perfluorocyclopentene
Conditions | Yield |
---|---|
With pyridine In 1,1-dichloroethane at 40℃; for 2h; | 98% |
Conditions | Yield |
---|---|
Stage #1: 2-Amino-5-methylbenzoic acid; terephthaloyl chloride In N,N-dimethyl acetamide at -3 - 4℃; for 2h; Cooling with ice-methanol; Stage #2: With acetic anhydride In N,N-dimethyl acetamide; toluene for 1.5h; Product distribution / selectivity; Heating / reflux; | 98% |
terephthaloyl chloride
3-aminophenylboronic acid pinacolate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 4 - 20℃; for 18h; | 98% |
isopropylamine
terephthaloyl chloride
N,N'-bis(isopropyl)-1,4-benzenedicarboxamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 98% |
With triethylamine; lithium chloride In tetrahydrofuran at 0℃; for 12h; Inert atmosphere; Reflux; | 2.4 g |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 97.5% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 0.716667h; | 97% |
With triethylamine In tetrahydrofuran at 20℃; for 18h; | 92% |
With potassium carbonate In dichloromethane at 20℃; for 4h; | 73.2% |
Conditions | Yield |
---|---|
In toluene | 97% |
methyl 4,6-O-benzylidene-α-D-allopyranoside
terephthaloyl chloride
Conditions | Yield |
---|---|
With di(n-butyl)tin oxide; triethylamine In toluene at 22℃; for 0.33h; | 97% |
terephthaloyl chloride
N-((R)-1-phenyl-ethyl)-N-propargylamine
N,N'-bis-(1-phenyl-ethyl)-N,N'-di-prop-2-ynyl-terephthalamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane | 97% |
Conditions | Yield |
---|---|
Stage #1: terephthaloyl chloride; 5-chloroanthranilic acid In N,N-dimethyl acetamide at 4 - 11℃; for 4h; Cooling with ice; Stage #2: With acetic anhydride In N,N-dimethyl acetamide at 105 - 126℃; for 2h; | 97% |
4,6-diaminoresorcin dihydrochloride
terephthaloyl chloride
Conditions | Yield |
---|---|
Stage #1: 4,6-diaminoresorcin dihydrochloride at 70℃; for 2h; Inert atmosphere; Ionic liquid; Stage #2: terephthaloyl chloride at 110℃; for 12h; Time; Temperature; Inert atmosphere; Ionic liquid; | 97% |
The Terephthaloyl dichloride with cas registry number of 100-20-9 can be classified in several categories which include Functional Materials; Reagent for High-Performance Polymer Research; Acid Halides; Carbonyl Compounds; Organic Building Blocks. It has an appearance of white crystalline flakes with EINECS registry number of 202-829-5. It also has other registry numbers which are 106158-15-0, 108454-76-8, 188665-55-6. This chemical has some superlist names such as 1,4-Benzenedicarbonyl dichloride and Terephthaloyl chloride. Both its systematic name and IUPAC name are the same which is called benzene-1,4-dicarbonyl dichloride.
The Physical properties about this chemical are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 58.69; (6)ACD/BCF (pH 7.4): 58.69; (7)ACD/KOC (pH 5.5): 642.01; (8)ACD/KOC (pH 7.4): 642.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 46.74 cm3; (14)Molar Volume: 142.2 cm3; (15)Surface Tension: 48.2 dyne/cm; (16)Density: 1.427 g/cm3; (17)Flash Point: 143.1 °C; (18)Enthalpy of Vaporization: 50.4 kJ/mol; (19)Boiling Point: 266 °C at 760 mmHg; (20)Vapour Pressure: 0.00887 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is sensitive to moisture.It causes burns and toxic by inhalation. Therefore wear suitable protective clothing, gloves and eye/face protection if you are using it. In case of insufficient ventilation, wear suitable respiratory equipment. After using it, take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you feel unwell, seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1ccc(C(Cl)=O)cc1;
(2)InChI: InChI=1/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H;
(3)InChIKey: LXEJRKJRKIFVNY-UHFFFAOYAY
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 2140mg/kg (2140mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(12), Pg. 35, 1984. |
rabbit | LD | skin | > 200mg/kg (200mg/kg) | National Technical Information Service. Vol. OTS0533726, | |
rabbit | LD50 | oral | 950mg/kg (950mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(12), Pg. 35, 1984. |
rat | LC50 | inhalation | 700mg/m3/4H (700mg/m3) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | National Technical Information Service. Vol. OTS0533726, |
rat | LD50 | oral | 2500mg/kg (2500mg/kg) | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 475, 1969. |
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