ChemicalBook--->CAS DataBase List--->541-88-8

541-88-8

541-88-8 Structure

541-88-8 Structure
IdentificationMore
[Name]

Chloroacetic anhydride
[CAS]

541-88-8
[Synonyms]

BIS(CHLOROACETIC)ANHYDRIDE
CHLOROACETIC ACID ANHYDRIDE
CHLOROACETIC ANHYDRIDE
MONOCHLOROACETIC ACID ANHYDRIDE
2-Chloroacetic anhydride
2-chloroaceticanhydride
Aceticacid,chloro-,anhydride
alpha,alpha’-dichloroaceticanhydride
Chloracetic anhydride
chloraceticanhydride
chloro-aceticacianhydride
Chloroacetyl anhydride
chloroacetylanhydride
chloroethanoicanhydride
Monochloroacetic anhydride
sym-dichloroaceticanhydride
CHLOROACETIC ANHYDRIDE, TECH., APPROX. 9 0%
Chloroaceticanhydride,97%
Chloroacetic anhydride, tech., 90%
Chloroacetic anhydride 97%
[EINECS(EC#)]

208-794-2
[Molecular Formula]

C4H4Cl2O3
[MDL Number]

MFCD00000929
[Molecular Weight]

170.98
[MOL File]

541-88-8.mol
Chemical PropertiesBack Directory
[Appearance]

brownish semi-transparent crystals, chunks or low
[Melting point ]

51 °C
[Boiling point ]

203 °C
[density ]

1.449
[vapor pressure ]

<0.75 mm Hg ( 20 °C)
[refractive index ]

1.4730 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Freely soluble in ether, chloroform. Slightly soluble in benzene. Insoluble in cold ligroin
[form ]

Crystals, Chunks or Low Melting Mass
[color ]

brown
[Sensitive ]

Moisture Sensitive
[Merck ]

14,2113
[BRN ]

774533
[Henry's Law Constant]

2.2×100 mol/(m3Pa) at 25℃, HSDB (2015)
[Stability:]

Moisture Sensitive
[InChI]

1S/C4H4Cl2O3/c5-1-3(7)9-4(8)2-6/h1-2H2
[InChIKey]

PNVPNXKRAUBJGW-UHFFFAOYSA-N
[SMILES]

ClCC(=O)OC(=O)CCl
[CAS DataBase Reference]

541-88-8(CAS DataBase Reference)
[Storage Precautions]

Moisture sensitive
[EPA Substance Registry System]

Acetic acid, chloro-, anhydride (541-88-8)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H314
[Precautionary statements ]

P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

C,T
[Risk Statements ]

R34:Causes burns.
R36/37:Irritating to eyes and respiratory system .
R43:May cause sensitization by skin contact.
R25:Toxic if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
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 label where possible) .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[F ]

10-19-21
[Hazard Note ]

Highly Toxic/Corrosive/Lachrymator
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29159000
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Dam. 1
Skin Corr. 1B
[Hazardous Substances Data]

541-88-8(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid, 2-chloro-, anhydride with silicic acid (H4SiO4) (4:1)-->Chloroacetyl chloride
[Preparation Products]

Acetophenone-->L-Tryptophan-->2-Dimethylaminoethyl chloride hydrochloride-->D-Tryptophan-->2-Chloro-N-(2,6-dimethylphenyl)acetamide-->Chloroacetic acid-->N-(4-Bromophenyl)-2-chloroacetamide-->2-Chloro-N-(2-methylphenyl)acetamide-->2-Chloro-N-phenylacetamide-->4-Phenylphenacyl chloride-->2-Chloro-N,N-diethylacetamide-->2-Propionylfuran-->3-(2-Chloro-acetyl)-3H-benzooxazol-2-one-->AKOS BBS-00005410
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

chloroacetic anhydride(541-88-8).msds
Hazard InformationBack Directory
[Chemical Properties]

brownish semi-transparent crystals, chunks or low
[Uses]

In N-acetylation of amino acids in alkaline solution; preparation of cellulose chloroacetates.
[Preparation]

chloroacetic anhydride Synthesis: Powdered s odium monochloroacetate(113.3g, 1.138 mol) was added slowly for a period of 15 min at room temperature (which slowly raises to 60°C) to a stirred solution of commercially available chloroaceyl chloride (127.5g, 1mol) in dry benzene (136mL) was refluxed for 9h. Salts were filtered off, the filtrate was cooled to room temperature, diluted with n-hexane and further cooled to 0°C. The solid separated was then filtered, washed with dry hexane and dried to yield chloroacetic anhydride as white crystalline compound in 60% yield (80g); mp=46-49°C [Lit. mp=46°C]. Alternatively, the benzene layer was directly subjected to high vacuum distillation.The product collected at 109-10°C at 10mm vacuum on cooling chloroacetic anhydride in lump form in 70 % yield (93g). It was observed that, the latter method gives anhydride in lump form while the former method gives in crystalline form.
[Purification Methods]

Crystallise the it from *benzene. [Eglinton et al. J Chem Soc 1860 1954, Beilstein 2 IV 487.]
Spectrum DetailBack Directory
[Spectrum Detail]

Chloroacetic anhydride(541-88-8)1HNMR
Chloroacetic anhydride(541-88-8)13CNMR
Chloroacetic anhydride(541-88-8)IR1
Chloroacetic anhydride(541-88-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Chloroaceticanhydride,tech.,90%(541-88-8)
[Alfa Aesar]

Chloroacetic anhydride, 97%(541-88-8)
[Sigma Aldrich]

541-88-8(sigmaaldrich)
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