Chloracetic anhydride supplier

Name
Chloroacetic anhydride
EINECS 208-794-2
CAS No. 541-88-8
Article Data32
CAS DataBase
Density 1.449 g/cm³
Solubility soluble in ether and chloroform
Melting Point 51 °C
Formula C₄H₄Cl₂O₃
Boiling Point 203 °C at 760 mmHg
Molecular Weight 170.98
Flash Point 82.8 °C
Transport Information UN 3261
Appearance brownish semi-transparent crystals
Safety 26-28-36/37/39-45-27
Risk Codes 34-36/37-43-25
Molecular Structure
Hazard Symbols C, T
Synonyms Aceticacid, chloro-, anhydride (6CI,7CI,8CI,9CI);2-Chloroacetic anhydride;Chloracetic anhydride;Chloroacetic acid anhydride;Chloroacetic anhydride;Chloroacetyl anhydride;NSC 71207;a,a'-Dichloroacetic anhydride;
PSA 43.37000
LogP 0.53380

Synthetic route

: 3926-62-3
sodium monochloroacetic acid

: 79-04-9
chloroacetyl chloride

: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
In toluene at 40℃; for 3h; Solvent; Temperature;	93%

: 79-11-8
chloroacetic acid

: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
With PEG-1000; sulfated zirconia at 40℃; for 1.5h; neat (no solvent);	91%
With 1,4-dioxane; hydrogenchloride; hydrogen cyanide
With phosphorus pentaoxide bei der Destillation im Vakuum;

: 674-82-8
4-methyleneoxetan-2-one

: 79-11-8
chloroacetic acid

: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
at 70 - 80℃;

: 919-24-4
tetrakis(chloroacetoxy)silane

: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
bei der Destillation im Vakuum;

: 3926-62-3
sodium monochloroacetic acid

: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
With oxalyl dichloride; benzene
With sulfuryl dichloride; ethyl acetate at 50℃;
With phosgene; oxalic acid ester unter Kuehlung;

: 108-24-7
acetic anhydride

: 79-11-8
chloroacetic acid

: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
With magnesium(II) perchlorate

: 108-24-7
acetic anhydride

: 79-11-8
chloroacetic acid

A: 4015-58-1
monochloroacetic acid anhydride

B: 541-88-8
Chloroacetic anhydride

...Expand

: 64-19-7
acetic acid

: 79-04-9
chloroacetyl chloride

A: 108-24-7
acetic anhydride

B: 75-36-5
acetyl chloride

C: 79-11-8
chloroacetic acid

D: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
at 100℃; Fraktionierung des Reaktionsprodukts;
at 100℃; so erhaelt man bei der Fraktionierung des Reaktionsprodukt unter gewoehnlichem Druck;

...Expand

: 4015-58-1
monochloroacetic acid anhydride

: 79-11-8
chloroacetic acid

A: 64-19-7
acetic acid

B: 541-88-8
Chloroacetic anhydride

...Expand

: 79-11-8
chloroacetic acid

: 79-04-9
chloroacetyl chloride

: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
zeitlicher Verlauf der Reaktion bei Siedetemperatur;
zeitlicher Verlauf bei Siedetemperatur;
With potassium chloride

: 79-04-9
chloroacetyl chloride

: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
With water; sodium carbonate
With potassium nitrate at 25℃; und spaeter auf dem Wasserbad;

: 79-37-8
oxalyl dichloride

: 3926-62-3
sodium monochloroacetic acid

: 71-43-2
benzene

: 541-88-8
Chloroacetic anhydride

...Expand

: 108-24-7
acetic anhydride

: 79-11-8
chloroacetic acid

A: 4015-58-1
monochloroacetic acid anhydride

B: 64-19-7
acetic acid

C: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
In chloroform-d1 Kinetics; Thermodynamic data; ΔE(excit.), ΔH(excit.), ΔS(excit.);

...Expand

: 5110-45-2
diphenylketene-N-p-tolylimine

: 79-11-8
chloroacetic acid

A: 4107-01-1
N-(p-tolyl)diphenylacetamide

B: 73197-35-0
N-(Chloracetyl)-N-(p-methylphenyl)-diphenylacetamid

C: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
In acetonitrile at 30℃; Rate constant; Product distribution;

...Expand

: trans-3,5-Diacethoxy-3,5-bis(chloromethyl)-1,2,4-trioxolane

: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
With dimethylsulfide In chloroform-d1 for 1.5h;

: 85415-22-1
trans-2,3-dibromo-1,4-dichloro-2-butene

A: 79-11-8
chloroacetic acid

B: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
With ozone; polyethylene In pentane at -75℃; for 8h; Product distribution; to r.t.;	A 71 % Spectr. B 14 % Spectr.

: 79-11-8
chloroacetic acid

phosphorus pentoxide: phosphorus pentoxide

: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
bei der Destillation im Vakuum;

: 79-11-8
chloroacetic acid

: 79-04-9
chloroacetyl chloride

potassium chloride: potassium chloride

: 541-88-8
Chloroacetic anhydride

Conditions

Conditions	Yield
zeitlicher Verlauf bei Siedetemperatur;

...Expand

: 144069-81-8
(R)-3,4-dihydro-2H-pyran-2-methylamine

: 541-88-8
Chloroacetic anhydride

: 159691-04-0
N-<((2R)-3,4-dihydro-2H-pyran-2-yl)methyl>chloroacetamide

Conditions

Conditions	Yield
With N,N-diethyl-N-isopropylamine In dichloromethane at 0℃; for 0.666667h;	100%

: 171191-33-6
1D-6-O-(4-oxopentanoyl)-3,4-O-(tetraisopropyldisiloxane-1,3-diyl)-5-O-triethylsilyl-myo-inositol 1-<(1,2-di-O-octadecanoyl-sn-glyceryl) methyl phosphate>

: 541-88-8
Chloroacetic anhydride

: 171191-34-7
1D-2-chloroacetyl-6-O-(4-oxopentanoyl)-3,4-O-(tetraisopropyldisiloxane-1,3-diyl)-5-O-triethylsilyl-myo-inositol 1-<(1,2-di-O-octadecanoyl-sn-glyceryl) methyl phosphate>

Conditions

Conditions	Yield
	100%
With dmap; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In pyridine for 2.5h; Ambient temperature; Yield given;

: 541-88-8
Chloroacetic anhydride

: 206883-01-4
5-(3-amino-2,6-dichlorobenzyloxy)isoquinoline

: 258842-80-7
5-{(2,6-dichloro-3-chloroacetylamino)benzyloxy}isoquinoline

Conditions

Conditions	Yield
In 1,2-dichloro-ethane at 20℃; for 1h; Acylation;	100%

: 541-88-8
Chloroacetic anhydride

: 167074-40-0
phenyl 3-O-acetyl-2-azido-4,6-O-benzylidene-2-deoxy-1-seleno-α-D-galactopyranoside

: Chloro-acetic acid (2S,4aR,6R,7R,8aR)-7-azido-2-phenyl-6-phenylselanyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester

Conditions

Conditions	Yield
With sodium hydrogencarbonate In tetrahydrofuran at -30 - 20℃; Acetylation;	100%

: 541-88-8
Chloroacetic anhydride

: 167074-40-0
phenyl 3-O-acetyl-2-azido-4,6-O-benzylidene-2-deoxy-1-seleno-α-D-galactopyranoside

: 282736-08-7
Phenyl 2-azido-4,6-benzylidene-3-O-chloroacetyl-2-deoxy-1-seleno-α-D-galactopyranoside

Conditions

Conditions	Yield
With sodium hydrogencarbonate In tetrahydrofuran at 20℃;	100%

: 541-88-8
Chloroacetic anhydride

: 359760-98-8
(1S,2R)-1-(N'-acetyl-N-carbamylamino)-2-indanol

: 359760-99-9
(1S,2R)-1-(N'-acetyl-N-carbamylamino)-2-indanol O-chloroacetate

Conditions

Conditions	Yield
With pyridine at 20℃; for 1h;	100%

: 541-88-8
Chloroacetic anhydride

: 208193-37-7
(2E,4E)-(R)-8-(tert-Butyl-dimethyl-silanyloxy)-2,7-dimethyl-octa-2,4-dien-1-ol

: 445493-03-8
(R,2E,4E)-8-t-butyldimethylsilyloxy-2,7-dimethyl-2,4-octadien-1-yl chloroacetate

Conditions

Conditions	Yield
With triethylamine In methanol at 20℃; for 0.25h;	100%

: 541-88-8
Chloroacetic anhydride

: tert-butyldiphenylsilyl 2,3,4,6-tetra-O-benzyl-β-D-galactopyranosyl-(1->4)-2-acetamido-3,6-di-O-benzyl-2-deoxy-β-D-glucopyranosyl-(1->6)-[2,3,4,6-tetra-O-benzyl-β-D-galactopyranosyl-(1->3)]-2-azido-2-deoxy-β-D-galactopyranoside

: tert-butyldiphenylsilyl 2,3,4,6-tetra-O-benzyl-β-D-galactopyranosyl-(1->4)-2-acetamido-3,6-di-O-benzyl-2-deoxy-β-D-glucopyranosyl-(1->6)-[2,3,4,6-tetra-O-benzyl-β-D-galactopyranosyl-(1->3)]-2-azido-4-O-chloroacetyl-2-deoxy-β-D-galactopyranoside

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0℃; for 3h;	100%

: 541-88-8
Chloroacetic anhydride

: 553635-94-2
(1R,2R,5S)-2-(3-hydroxypropyl)-2-methyl-8-oxabicyclo[3.2.1]octan-3-one

: 553635-95-3
(1R,2R,5S)-2-[3-(chloroacetyloxy)propyl]-2-methyl-8-oxabicyclo[3.2.1]octan-3-one

Conditions

Conditions	Yield
With pyridine; dmap at 0℃; for 1.5h;	100%

: 33069-62-4
taxol

: 541-88-8
Chloroacetic anhydride

: 152565-19-0
taxol-2'-chloroacetyl

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;	100%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃;	100%
	100%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h;	100%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 24h;	84.33%

: 103-67-3
benzyl-methyl-amine

: 541-88-8
Chloroacetic anhydride

: 73685-56-0
N-benzyl-N-methyl-α-chloroacetamide

Conditions

Conditions	Yield
With dmap In tetrahydrofuran at 20℃; for 0.166667h;	100%

: 155036-27-4
pent-4-enyl 2,3,4-tri-O-benzyl-β-D-glucopyranoside

: 541-88-8
Chloroacetic anhydride

: 1268469-66-4
n-pent-4-enyl 2,3,4-O-tribenzyl-6-O-chloroacetyl-β-D-glucopyranoside

Conditions

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

: 1282034-45-0
C33H40O8S

: 541-88-8
Chloroacetic anhydride

: 1282034-28-9
C35H41ClO9S

Conditions

Conditions	Yield
With dmap In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere;	100%

: 1271131-90-8
tert-butyldiphenylsilyl 4-(N-benzyloxycarbonylamino)-2-azido-2,4,6-trideoxy-β-D-galactopyranoside

: 541-88-8
Chloroacetic anhydride

: 1271132-05-8
tert-butyldiphenylsilyl 4-(N-benzyloxycarbonylamino)-2-azido-3-O-chloroacetyl-2,4,6-trideoxy-β-D-galactopyranoside

Conditions

Conditions	Yield
With pyridine In dichloromethane for 1h;	100%
With pyridine In dichloromethane for 1h;	100%

: C19H32O4

: 541-88-8
Chloroacetic anhydride

: C23H34Cl2O6

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 0℃; for 2.5h;	100%

: 541-88-8
Chloroacetic anhydride

: 258286-51-0
phenyl (6-O-benzyl-2-O-benzoyl-1-thio-β-D-galactopyranoside)

: 1400562-30-2
phenyl 2,6-di-O-benzyl-3,4-di-O-chloroacetyl-1-thio-β-D-galactopyranoside

Conditions

Conditions	Yield
With pyridine In monoethylene glycol diethyl ether at 0 - 20℃; for 4h;	100%

: methyl [2-(trimethylsilyl)ethyl 5-acetamido-4,7,9-tri-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosid]onate

: 541-88-8
Chloroacetic anhydride

: methyl [2-(trimethylsilyl)ethyl 5-acetamido-4,7,9-tri-O-acetyl-8-O-chloroacetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosid]onate

Conditions

Conditions	Yield
With dmap In tetrahydrofuran at 0 - 20℃; for 12h; Inert atmosphere;	100%

: methyl [phenyl 3,5-dideoxy-9-O-pivaloyl-2-thio-5-(2,2,2-trichloroethoxycarbamoyl)-D-glycero-β-D-galacto-2-nonulopyranosid]onate

: 541-88-8
Chloroacetic anhydride

: methyl [phenyl 4,7,8-tri-O-chloroacetyl-3,5-dideoxy-9-O-pivaloyl-2-thio-5-(2,2,2-trichloroethoxycarbamoyl)-D-glycero-β-D-galacto-2-nonulopyranosid]onate

Conditions

Conditions	Yield
With dmap In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;	100%

: 124781-21-1
6''-dihydro-3,5-isopropylidene-6''-O-(4-methoxybenzyl) leuconolide A1

: 541-88-8
Chloroacetic anhydride

: 139746-45-5
9-O-chloroacetyl-6''-dihydro-3,5-isopropylidene-6''-O-(4-methoxybenzyl) leuconolide A1

Conditions

Conditions	Yield
With dmap In pyridine at 5℃; for 0.333333h;	99%

: 102728-49-4
Methyl-3,6-di-O-allyl-2-O-benzyl-α-D-mannopyranosid

: 541-88-8
Chloroacetic anhydride

: 129750-07-8
Methyl-3,6-di-O-allyl-2-O-benzyl-4-O-chloracetyl-α-D-mannopyranosid

Conditions

Conditions	Yield
With pyridine at 0℃; for 0.5h;	99%

: {(6S,7R,8S,9R)-9-(tert-Butyl-dimethyl-silanyloxy)-7-((S)-1-hydroxy-3-trimethylsilanyl-prop-2-ynyl)-8-[2-(4-methoxy-phenoxymethoxy)-ethyl]-9-trimethylsilanylethynyl-1,4-dioxa-spiro[4.5]dec-6-yl}-carbamic acid allyl ester

: 541-88-8
Chloroacetic anhydride

: Chloro-acetic acid (S)-1-{(6S,7R,8S,9R)-6-allyloxycarbonylamino-9-(tert-butyl-dimethyl-silanyloxy)-8-[2-(4-methoxy-phenoxymethoxy)-ethyl]-9-trimethylsilanylethynyl-1,4-dioxa-spiro[4.5]dec-7-yl}-3-trimethylsilanyl-prop-2-ynyl ester

Conditions

Conditions	Yield
With pyridine	99%

: 541-88-8
Chloroacetic anhydride

: 206348-79-0
1-[Dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-pent-4-en-2-ol

: 206348-77-8
Chloro-acetic acid 1-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxymethyl]-but-3-enyl ester

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0℃; for 1.5h;	99%

: 871-76-1
2,2-diaminoethylthioether

: 541-88-8
Chloroacetic anhydride

: 226211-71-8
bis<2-(α-chloroacetamido)ethyl> sulfide

Conditions

Conditions	Yield
In dichloromethane for 1h; Ambient temperature;	99%

: 186960-95-2
5,5-dimethyl-2-(methylthio)-2-cyclopenten-1-ol

: 541-88-8
Chloroacetic anhydride

: 225790-52-3
5,5-dimethyl-2-(methylthio)-2-cyclopenten-1-yl chloroacetate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0℃; for 2h;	99%

: 541-88-8
Chloroacetic anhydride

: C81H112O25Si2

: C83H113ClO26Si2

Conditions

Conditions	Yield
With dmap; triethylamine In tetrahydrofuran at 0 - 25℃; for 1h; Esterification;	99%

: 541-88-8
Chloroacetic anhydride

: bis{3-[2,3,6-tri-O-acetyl-4-O-(2',3',4',6'-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranosyl-1-thiomethylcarbonylamino]propyl}-N-tert-butoxycarbonylamine

: bis{3-[2,3,6-tri-O-acetyl-4-O-(2',3',4',6'-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranosyl-1-thiomethylcarbonylamino]propyl}-N-chloroacetylamine

Conditions

Conditions	Yield
Stage #1: bis{3-[2,3,6-tri-O-acetyl-4-O-(2',3',4',6'-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranosyl-1-thiomethylcarbonylamino]propyl}-N-tert-butoxycarbonylamine With trifluoroacetic acid In dichloromethane at 0℃; Stage #2: Chloroacetic anhydride With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 8h; Further stages.;	99%

: 541-88-8
Chloroacetic anhydride

: 512171-32-3
(2R,4aR,6S,7R,8S,8aS)-7-(4-Methoxy-benzyloxy)-6-methylsulfanyl-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-ol

: methyl 4,6-O-benzylideme-3-O-chloroacetyl-2-O-p-methoxybenzyl-1-thio-β-D-mannopyranoside

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0 - 20℃; for 1.16667h;	99%

: 541-88-8
Chloroacetic anhydride

: C54H75NO14

: C56H76ClNO15

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 20℃; for 1h;	99%

: 55371-42-1
(Z)-2-fluoro-n-dec-2-en-1-ol

: 541-88-8
Chloroacetic anhydride

: 848138-01-2
1-chloroacetoxy-2-fluorodec-2-ene

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 20℃; for 15h;	99%

: Acetic acid (2S,3R,4R,5S,6R)-3-azido-6-benzyloxymethyl-5-hydroxy-2-phenylsulfanyl-tetrahydro-pyran-4-yl ester

: 541-88-8
Chloroacetic anhydride

: phenyl 3-O-acetyl-2-azido-6-O-benzyl-4-O-chloroacetyl-2-deoxy-1-thio-β-D-glucopyranoside

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0℃; for 0.5h;	99%

Chloracetic anhydride Specification

The IUPAC name of Chloracetic anhydride is (2-chloroacetyl) 2-chloroacetate. With the CAS registry number 541-88-8, it is also named as Acetic acid, chloro-, anhydride. The product's category is Pharmaceutical Intermediates. It is brownish semi-transparent crystals which is soluble in ether and chloroform. Additionally, this chemical should be sealed in the container and stored in the cool and dry place. Keep away from acids and food chemicals.

The other characteristics of this product can be summarized as: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 43.37 Å²; (6)Index of Refraction: 1.456; (7)Molar Refractivity: 32.08 cm³; (8)Molar Volume: 117.9 cm³; (9)Polarizability: 12.71×10^-24 cm³; (10)Surface Tension: 40.7 dyne/cm; (11)Enthalpy of Vaporization: 43.92 kJ/mol; (12)Boiling Point: 203 °C at 760 mmHg; (13)Vapour Pressure: 0.284 mmHg at 25°C; (14)Rotatable Bond Count: 4; (15)Exact Mass: 169.953749; (16)MonoIsotopic Mass: 169.953749; (17)Topological Polar Surface Area: 43.4; (18)Heavy Atom Count: 9; (19)Complexity: 109.

Uses ofChloracetic anhydride: It is used as intermediate. It also can react with 6-amino-2-methyl-3H-pyrimidin-4-one to get 2-chloro-N-(2-methyl-6-oxo-1,6-dihydro-pyrimidin-4-yl)-acetamide. This reaction needs solvent CHCl₃ by heating. The reaction time is 26 hours. The yield is 82%.

When you are using this chemical, please be cautious about it as the following:
It is not only toxic if swallowed, but also irritating to eyes, skin and respiratory system.. Besides, it can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of soap-suds. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:ClCC(=O)OC(=O)CCl
2. InChI:InChI=1/C4H4Cl2O3/c5-1-3(7)9-4(8)2-6/h1-2H2
3. InChIKey:PNVPNXKRAUBJGW-UHFFFAOYAI

Product Name

Chloroacetic anhydride

Synthetic route

Chloracetic anhydride Specification

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