1,3,5-Benzenetricarboxylic acid chloride supplier

Name
1,3,5-Benzenetricarboxylic acid chloride
EINECS 224-594-8
CAS No. 4422-95-1
Article Data64
CAS DataBase
Density 1.574 g/cm³
Solubility decomposes in water
Melting Point 32-38 °C(lit.)
Formula C₉H₃Cl₃O₃
Boiling Point 312.2 °C at 760 mmHg
Molecular Weight 265.48
Flash Point 150.6 °C
Transport Information UN 3261 8/PG 2
Appearance clear yellow liquid after melting
Safety 26-36/37/39-45-24/25
Risk Codes 14-22-34
Molecular Structure
Hazard Symbols C
Synonyms 1,3,5-Benzenetricarbonylchloride (7CI,8CI);Trimesoyl chloride (6CI);1,3,5-Benzenetricarbonyltrichloride;1,3,5-Benzenetricarboxylic chloride;1,3,5-Tris(chlorocarbonyl)benzene;1,3,5-Tris(chloroformyl)benzene;NSC 82328;Trimesic acid trichloride;Trimesinic acid trichloride;Trimesoyl trichloride;
PSA 51.21000
LogP 2.82360

Synthetic route

: 554-95-0
benzene-1,3,5-tricarboxylic acid

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

Conditions

Conditions	Yield
With thionyl chloride In N,N-dimethyl-formamide for 8h; Heating;	100%
With thionyl chloride In N,N-dimethyl-formamide for 3h; Heating;	100%
With thionyl chloride; N,N-dimethyl-formamide for 3h; Heating / reflux;	100%

: 7719-09-7
thionyl chloride

: 554-95-0
benzene-1,3,5-tricarboxylic acid

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 8h; Reflux;	96%

: 729-80-6
1,3,5-tris(trichloromethyl)benzene

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

Conditions

Conditions	Yield
With water; iron(III) chloride at 140℃;
With iron(III) chloride; benzene-1,3,5-tricarboxylic acid In melt at 100 - 110℃;

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 62-53-3
aniline

: 71764-61-9
N,N'N"-Trisphenyl-1,3,5-benzenetricarbonamide

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃; for 1h;	100%
Stage #1: 1,3,5-benzene tris(carbonyl chloride); aniline In pyridine; dichloromethane at 0℃; for 1h; Stage #2: In pyridine; dichloromethane at 0 - 20℃; for 4h;	90%
In 5,5-dimethyl-1,3-cyclohexadiene at 30℃; for 0.583333h; Sonication;	83%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 2450-71-7
Propargylamine

: 902136-65-6
N1,N3,N5-tri-propargylbenzenetricarboxamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 24h; Inert atmosphere;	100%
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 3.25h;	73%
With triethylamine In dichloromethane at 0℃; for 3h;	44%

: 1008513-62-9
[4-(Diazo(phenyl)methyl)phenyl]methanol

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 1242462-30-1
C51H36N6O6

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0 - 20℃;	100%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 8-(2-aminoethyleneaminocarbonyl)-octyl 4-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-galactopyranosyl)-2,3,6-tri-O-acetyl-β-D-galactopyranoside

: C120H177N9O57

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 0.166667h; Acylation;	99%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 644968-23-0
tert-butyl 3-[(2-tert-butoxycarbonyl-ethyl)-(3-hydroxy-propyl)-amino]-propionate

: benzene-1,3,5-tricarboxylic acid tris-{3-[bis-(2-tert-butoxycarbonyl-ethyl)-amino]-propyl} ester

Conditions

Conditions	Yield
With dmap In toluene for 4h; Heating;	99%
Stage #1: tert-butyl 3-[(2-tert-butoxycarbonyl-ethyl)-(3-hydroxy-propyl)-amino]-propionate With dmap In toluene for 3h; Reflux; Stage #2: 1,3,5-benzene tris(carbonyl chloride) In toluene for 6h; Reflux;	60%
With dmap In toluene at 110℃; for 6h;

: 182227-33-4
H2NC3H6Si(CH3)2C5H4FeC5H3[P(C6H5)2]CH(CH3)P(C6H11)2

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: C132H171Si3P6N3O3Fe3

Conditions

Conditions	Yield
In not given slight excess of ferrocenyl diphosphine; chromy.;	99%

: (C5H4Si(CH3)2(CH2)3NH2)Fe(C5H3(P(C6H5)2)(CHCH3P(C6H11)2))

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: ((C5H4Si(CH3)2CH2CH2CH2NHCO)Fe(C5H3(P(C6H5)2)(CHCH3P(C6H11)2)))3C6H3

Conditions

Conditions	Yield
With triethylamine In not given	99%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 4-(salicylideneamino)benzyl alcohol

: tris[4-(salicylaldimine)benzyl]benzene-1,3,5-tricarboxylate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃;	99%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 63556-80-9
benzene-1,3,5-tris(carboperoxoic) acid

Conditions

Conditions	Yield
Stage #1: 1,3,5-benzene tris(carbonyl chloride) With methanesulfonic acid at 50℃; Stage #2: With dihydrogen peroxide In water at 50℃; for 0.5h;	99%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 147355-09-7
<3--1,3,5-triazin-2-yl>amino>-5-bromobenzoyl>-N-<<4-(1,1-dimethylethyl)phenyl>methyl>amino>phenyl>amine

: 129001-73-6
N,N',N''-tris<3--1,3,5-triazin-2-yl>amino>-5-bromobenzoyl>-N-<<4-(1,1-dimethylethyl)phenyl>methyl>amino>phenyl>-1,3,5-benzenetricarboxamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane for 1h; Ambient temperature;	98%

: 3326-71-4
2-furoic acid hydrazide

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: C24H18N6O9

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran; water	98%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 3619-22-5
p-toluic hydrazide

: C33H30N6O6

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran; water	98%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 534-85-0
N-phenyl-1,2-benzenediamine

: 950766-71-9
N1,N3,N5-tris(2-(phenylamino)phenyl)benzene-1,3,5-tricarboxamide

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; Industrial scale;	98%
In methylpyrrolidin-2-one; 1- (NMP) at 20 - 50℃; for 2h; Heating / reflux;	70%
In 1-methyl-pyrrolidin-2-one at 20 - 50℃; for 2.5h;

: 1-hydroxy-3,5-bis(1-oxa-2-aza-2-[3,5-bis(6-[(S(P))-1-diphenylphosphino-2-[1R-(dicyclohexylphosphino)ethyl]-1'-ferrocenyl]-6-dimethyl-1-oxo-2-aza-6-silahexyl)phenyl])benzene*2.5H2O

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 12-cascade:benzene[3-1,3,5]:(5-(1-oxo-2-oxa)-1,3-phenylene):(5-(1-oxo-2-aza)-1,3-phenylene):1'-(1-dimethyl-6-oxo-5-aza-1-silahexyl)-(S(P))-1-diphenylphosphino-2-[1R-(dicyclohexylphosphino)-ethyl]ferrocene

Conditions

Conditions	Yield
With 4-pyrrolidin-1-ylpyridine In dichloromethane react. ferrocene, 4-(pyrrolidino)pyridine, and benzene-1,3,5-tricarboxylic acid trichloride in CH2Cl2, 2 h at room temp.; flash chromy. on silica (hexane-EtOAc + 1 % NEt3); elem. anal.;	98%

: C37H52N4OS6

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: C120H156N12O6S18

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	98%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 22483-09-6
2,2-dimethoxyethylamine

: 1,3,5-tris(2,2-dimethoxyethylaminocarbonyl)benzene

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In chloroform at 20℃; for 24h;	98%
With N-ethyl-N,N-diisopropylamine In chloroform at -15 - 20℃; for 24h;	98%

: 462-06-6
fluorobenzene

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 267668-44-0
[3,5-bis(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanone

Conditions

Conditions	Yield
Stage #1: fluorobenzene; 1,3,5-benzene tris(carbonyl chloride) With aluminum (III) chloride at 20℃; for 12h; Friedel-Crafts Alkylation; Stage #2: at 90℃; for 2h;	98%
With aluminum (III) chloride at 20 - 90℃;	98%
With aluminum (III) chloride at 85 - 97℃; for 2h;	92.7%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 123-08-0
4-hydroxy-benzaldehyde

: C30H18O9

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 10 - 20℃; for 2h;	98%

: 2361-27-5
2-thienylhydrazide

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: C24H18N6O6S3

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran; water	97%

: 504-24-5
4-aminopyridine

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 725274-03-3
N1,N3,N5-tris(pyridin-4-yl)benzene-1,3,5-tricarboxamide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃;	97%
In N,N-dimethyl-formamide at 20℃;	97%
In N,N-dimethyl-formamide at 20℃; for 12h;	96%

: 1308332-52-6
1-(3-(chloromethyl)phenyl)-2-hydroxy-2-methylpropan-1-one

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 1399234-66-2
C42H42O12

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0℃; for 2h; Inert atmosphere;	97%
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;	97%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 7517-19-3
methyl (L)-leucinate hydrochloride

: 905751-50-0
C30H45N3O9

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 18h;	97%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 126385-15-7
N-acetyl-N-(8-amino-3,6-dioxaoctyl)-O-benzylhydroxylamine

: 126385-21-5
N,N',N''-tris<8-acetyl(benzyloxy)amino-3,6-dioxaoctyl>benzene-1,3,5-tricarboxamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane 0 deg C, 1 h, Rt, 2 h;	96%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 100-46-9
benzylamine

: 86375-10-2
N1,N3,N5- tribenzylbenzene-1,3,5-tricarboxamide

Conditions

Conditions	Yield
In toluene	96%
With triethylamine In chloroform at 20℃; for 0.0222222h; Flow reactor;	90%

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 51-45-6
histamine

: N,N',N''-tris(2-(1H-imidazole-5-yl)ethyl)benzene-1,3,5-tricarboxamide

Conditions

Conditions	Yield
With triethylamine In chloroform a) RT, 20 h, b) reflux, 2 h;	96%

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

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 1,3,5-{[(1S,2R)-PhCH(OH)CH(Ph)]NHC(O)}3C6H3

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 4h; Heating;	96%
With triethylamine In dichloromethane Heating;

: 2026-48-4
(S)-valinol

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: N,N',N''-tris[(1S)-1-hydroxymethyl-2-methylpropyl]-1,3,5-benzenetricarboxamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	96%
With triethylamine In dichloromethane Heating;
With triethylamine In dichloromethane at 20℃; for 4 - 6h;
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: 123-30-8
4-amino-phenol

: 1216665-32-5
1,3,5-tris((4'-hydroxyphenyl)carbamoyl)benzene

Conditions

Conditions	Yield
With methyloxirane In N,N-dimethyl acetamide at 0 - 20℃; for 6.5h; Inert atmosphere;	96%

: C17H35NO2S*C7H8O3S

: 4422-95-1
1,3,5-benzene tris(carbonyl chloride)

: tri-N-[(D)-(3-thio-butyl)dodecyloxycarbonymethyl]benzene-1,3,5-tricarboxamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 36 - 42h; Inert atmosphere; Schlenk technique;	96%

1,3,5-Benzenetricarboxylic acid chloride Chemical Properties

IUPAC Name: Benzene-1,3,5-tricarbonyl chloride
Synonyms of 1,3,5-Benzenetricarboxylic acid chloride (CAS NO.4422-95-1): 1,3,5-Benzenetricarbonyl chloride ; 1,3,5-Benzenetricarboxylic acid chloride ; 1,3,5-Benzenetricarboxylic chloride ; Trimesic acid trichloride ; Trimesoyl chloride
CAS NO: 4422-95-1
Molecular Formula: C₉H₃Cl₃O₃
Molecular Weight: 265.48
Molecular Structure:
EINECS: 224-594-8
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 51.21 Å²
Index of Refraction: 1.59
Molar Refractivity: 56.98 cm³
Molar Volume: 168.6 cm³
Surface Tension: 54.7 dyne/cm
Density: 1.574 g/cm³
Flash Point: 150.6 °C
Enthalpy of Vaporization: 55.32 kJ/mol
Boiling Point: 312.2 °C at 760 mmHg
Vapour Pressure: 0.000535 mmHg at 25°C
Melting Point: 32-38 °C(lit.)
Storage temp: Refrigerator
Solubility: decomposes
Water Solubility: decomposes
Sensitive: Moisture Sensitive
Appearance: 1,3,5-Benzenetricarboxylic acid chloride (CAS NO.4422-95-1) is clear yellow liquid after melting .
SMILES: O=C(Cl)c1cc(cc(C(Cl)=O)c1)C(Cl)=O
InChI: InChI=1/C9H3Cl3O3/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-3H
InChIKey: UWCPYKQBIPYOLX-UHFFFAOYAM
Std. InChI: InChI=1S/C9H3Cl3O3/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-3H
Std. InChIKey: UWCPYKQBIPYOLX-UHFFFAOYSA-N

1,3,5-Benzenetricarboxylic acid chloride Safety Profile

Hazard Codes: Corrosive C
Risk Statements: 14-22-34
R14 : Reacts violently with water.
R22: Harmful if swallowed.
R34: Causes burns.
Safety Statements: 26-36/37/39-45-24/25
S24/25: Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
F: 10-19
HazardClass: 8
PackingGroup: II
HS Code 29173980

1,3,5-Benzenetricarboxylic acid chloride Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Do NOT use water directly on fire. Use foam, dry chemical, or carbon dioxide.
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place 1,3,5-Benzenetricarboxylic acid chloride (CAS NO.4422-95-1) in suitable container.

Product Name

1,3,5-Benzenetricarboxylic acid chloride

Synthetic route

1,3,5-Benzenetricarboxylic acid chloride Chemical Properties

1,3,5-Benzenetricarboxylic acid chloride Safety Profile

1,3,5-Benzenetricarboxylic acid chloride Specification

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