Acetic acid, 2,2-dichloro-, 1,1'-anhydride (HCID 77772)

Names & identifiers

Preferred name: Acetic acid, 2,2-dichloro-, 1,1'-anhydride
IUPAC: (2,2-dichloroacetyl) 2,2-dichloroacetate
English name: DICHLOROACETIC ANHYDRIDE
Molecular formula: C4H2Cl4O3
Molecular weight: 239.87

Names & synonyms

Dichloroacetic anhydride4124-30-5Acetic acid, dichloro-, anhydrideMB3OGR64INAcetic acid, 2,2-dichloro-, 1,1'-anhydrideNSC-401832DTXSID5041011RefChem:586728DTXCID3021011223-924-8Dichloroacetic acid anhydride(2,2-dichloroacetyl) 2,2-dichloroacetate

Show more names

DICHOLOROACETIC ANHYDRIDEDichloroacetetic anhydridedichloro-aceticacianhydrideBIS(DICHLOROACETIC)ANHYDRIDEDichloroacetic anhydride 96%Dichloroacetic anhydride,98%dichloro-aceticacid-anhydrideanhydridkyselinydichloroctove

Anhydrid kyseliny dichloroctove2,2'-Dichloroacetic anhydrideUNII-MB3OGR64INEINECS 223-924-82,2-Dichloroacetic anhydrideNSC 401832Anhydrid kyseliny dichloroctove [Czech]BRN 0512173

Database identifiers

CAS: 4124-30-5
PubChem CID: 77772
DTXSID: DTXSID5041011
UNII: MB3OGR64IN
EC Number: 223-924-8
Nikkaji: J1.828G

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Experimental & physicochemical properties

Kovats Retention Index1248

Physicochemical properties

Melting point: 30 °C · ~30 °C
Boiling point: 214 · 214-216 °C (lit.)
Density: 1.574 g/mL · 1.574 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.483(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
solubility: Acetonitrile (Soluble), Chloroform (Soluble)
form: Liquid After Melting
color: Clear colorless
Sensitive: Moisture Sensitive
BRN: 512173 · 512173
Stability: Moisture sensitive
InChI: 1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
InChIKey: RQHMQURGSQBBJY-UHFFFAOYSA-N
SMILES: ClC(Cl)C(=O)OC(=O)C(Cl)Cl
CAS DataBase Reference: 4124 · 4124-30-5
EWG's Food Scores: 1 · 1
FDA UNII: 3 OGR64IN · MB3OGR64IN
EPA Substance Registry System: Acetic acid, dichloro-, anhydride (4124-30-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 311 · H311-H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 20 · 20/21/22-34
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 2923 · UN 2923 8/PG 3
WGK Germany: 3 · 3
RTECS: 6300000 · AG6300000
F: 21 · 21
Hazard Note: Corrosive/Moisture Sensitive
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29154000 · 29154000
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 4 InhalationEye Dam. 1Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H311 (97.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P262, P264, P270, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationDichloroacetic anhydride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)；Skin Corr. 1B (100%)；Acute Tox. 4 (97.5%)

Regulatory information

Regulatory InformationDichloroacetic anhydride: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F: 21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: AG6300000
ridadr: UN 2923 8/PG 3
hs_code: 29154000
risk_code: 20/21/22-34
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: C
hazard_note: Corrosive/Moisture Sensitive
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: II
Hazard statements: H311-H314
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 InhalationEye Dam. 1Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetic acid, 2,2-dichloro-, 1,1'-anhydride: ACTIVE

Applications

UsesDichloroacetic 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 DescriptionDichloroacetic anhydride is an acylating agent and was evaluated for inducing autoimmune responses.