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DICHLOROACETIC ANHYDRIDE structure

DICHLOROACETIC ANHYDRIDE
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1. Names and Identifiers
1.1 Name
DICHLOROACETIC ANHYDRIDE
1.2 Synonyms
2,2-Dichloroacetic anhydride; 2,2-Dichloroacetyl 2,2-dichloroacetate; Acetic acid, 2,2-dichloro-, 1,1′-anhydride; Acetic acid, dichloro-, anhydride; Aceticacid,dichloro-,anhydride; Anhydrid kyseliny dichloroctove; anhydridkyselinydichloroctove; Dichloroacetetic anhydride; Dichloroacetic acid anhydride; dichloro-aceticacianhydride; dichloro-aceticacid-anhydride; NSC 401832;
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1.3 CAS No.
4124-30-5
1.4 CID
77772
1.5 EINECS
223-924-8
1.6 Molecular Formula
C4H2Cl4O3
1.7 Inchi
InChI=1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
1.8 InChkey
RQHMQURGSQBBJY-UHFFFAOYSA-N
1.9 Canonical Smiles
ClC(Cl)C(=O)OC(=O)C(Cl)Cl
1.10 Isomers Smiles
C(C(=O)OC(=O)C(Cl)Cl)(Cl)Cl
2. Properties
2.1 Chemical Properties
clear colorless liquid after melting DICHLOROACETIC ANHYDRIDE Preparation Products And Raw materials Preparation Products
2.2 Color/Form
Clear colorless
2.3 Water Solubility
Acetonitrile (Soluble), Chloroform (Soluble)
2.4 Stability
Moisture sensitive
2.5 StorageTemp
Store below +30°C.
3. Use and Manufacturing
3.1 Description

clear colorless liquid after melting

3.2 GHS Classification
Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 24 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H311 (95.83%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H332 (95.83%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P361, P363, P405, and P501
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4. Safety and Handling
4.1 Report

Reported in EPA TSCA Inventory.

4.2 Safety

Safety Information of Dichloroacetic anhydride (CAS NO.4124-30-5):
Hazard Codes: C
Risk Statements: 20/21/22-34
20:  Harmful by inhalation 
21:  Harmful in contact with skin 
22:  Harmful if swallowed 
34:  Causes burns 
Safety Statements: 26-27-28-36/37/39-45
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
27:  Take off immediately all contaminated clothing 
28:  After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36:  Wear suitable protective clothing  
37:  Wear suitable gloves 
39:  Wear eye/face protection 
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

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4.3 Sensitive
Moisture Sensitive
4.4 Specification

 Dichloroacetic anhydride ,its CAS NO. is 4124-30-5,the synonyms is Acetic acid, dichloro-, anhydride ; Aceticacid,dichloro-,anhydride ; Anhydrid kyseliny dichloroctove ; Anhydridkyselinydichloroctove ; Dichloroacetetic anhydride ; Dichloroacetic acid anhydride ; Dichloro-aceticacianhydride ; Dichloro-aceticacid-anhydride .

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4.5 Toxicity
1.    

skn-rbt 10 mg/24H open MOD

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
2.    

eye-rbt 50 µg open SEV

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
3.    

orl-rat LD50:2820 mg/kg

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
4.    

skn-rbt LD50:470 mg/kg

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 3

Skin corrosion, Category 1B

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H311 Toxic in contact with skin

H314 Causes severe skin burns and eye damage

H332 Harmful if inhaled
Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P321 Specific treatment (see ... on this label).

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/…

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum
13C NMR : in CDCl3  
13C NMR : Predict  
1H NMR : parameter in CDCl3  
1H NMR : Predict  
IR : liquid film  
Raman : 4880 A,200 M,liquid  
Mass  
Mass spectrum (electron ionization)  
7. Synthesis Route
4124-30-5Total: 7 Synthesis Route
 
79-43-6
79-43-6 52 Suppliers
 
4124-30-5
4124-30-5 18 Suppliers
 
79-36-7
79-36-7 53 Suppliers
 
4124-30-5
4124-30-5 18 Suppliers
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8. Precursor and Product
precursor:
75-36-5
75-36-5
79-36-7
79-36-7
2156-56-1
2156-56-1
79-43-6
79-43-6
product:
530-43-8
530-43-8
82093-18-3
82093-18-3
10565-20-5
10565-20-5
31429-11-5
31429-11-5
5468-76-8
5468-76-8
9. Computed Properties
10.Other Information
Mesh Entry Terms
dichloroacetic anhydride
Manufacturing Info
Acetic acid, 2,2-dichloro-, 1,1'-anhydride: ACTIVE
BRN
512173
Chemical Properties
clear colorless liquid after melting
Uses
Dichloroacetic anhydride was employed as an acylating agent for acylation of 10-Deacetylbaccatin III using Pseudomonas cepacia. It was also used in the preparation of cellulose dichloroacetates.
General Description
Dichloroacetic anhydride is an acylating agent and was evaluated for inducing autoimmune responses.
11. Toltal 15 Suppliers View more
Dichloroacetic anhydride
Dayang Chem (Hangzhou) Co., Ltd.
 1YR   China
Tel: Update Time:2024/06/17
inquire
Dichloroaceticacid Anhydride
Suzhou Industrial Park Yacoo Chemical Reagent Co., Ltd.
  China
Tel: Update Time:2013/04/25
inquire
Acetic acid,2,2-dichloro-, 1,1'-anhydride
Hangzhou Share Chemical Co., Ltd
China
Tel: Update Time:2019/02/23
inquire
DICHLOROACETIC ANHYDRIDE
Acros Organics
Belgium
Tel: Update Time:2019/11/25
inquire
DICHLOROACETIC ANHYDRIDE
Apollo Scientific Ltd.
United Kingdom
Tel: Update Time:2019/11/25
inquire
12. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Use and Manufacturing
4. Safety and Handling
5. Msds
6. NMR Spectrum
7. Synthesis Route
8. Precursor and Product
9. Computational chemical data
10. Other Information
11. Toltal 15 Suppliers
12. Realated Product Infomation
 
 
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