Basic information
- Standard SMILES
O=C1OC(=O)C(Cl)=C1Cl- InChIKey
AGULWIQIYWWFBJ-UHFFFAOYSA-N- Molecular formula
- C4Cl2O3
- Average molar mass
- 166.94 g/mol
- Monoisotopic mass
- 165.92244922
Names & identifiers
- Preferred name
- Dichloromaleic anhydride
- IUPAC
- 3,4-dichlorofuran-2,5-dione
- English name
- Dichloromaleic anhydride
- Molecular formula
- C4Cl2O3
- Molecular weight
- 166.95
Names & synonyms
Dichloromaleic anhydride2,3-Dichloromaleic anhydride2,5-Furandione, 3,4-dichloro-3,4-Dichloro-2,5-furandione2,3-Dichloromaleic acid anhydrideEINECS 214-343-0NSC 6052456CE3A79HBAI3-26596NSC-60524DTXSID1061526RefChem:133074
Show more names
Dichloromaleic acid anhydrideoromaL3,4-dichloro-5-furandioneMaleic anhydride, dichloro-3,4-Dichloro-furan-2,5-dione3,4-dichlorofuran-2,5-quinone
Maleic anhydride, dichloro2,3Dichloromaleic anhydride2,5Furandione, 3,4dichloroDTXCID2033281Maleic anhydride, dichloro (8CI)214-343-0AGULWIQIYWWFBJ-UHFFFAOYSA-N1122-17-4
Database identifiers
- CAS
1122-17-4- PubChem CID
- 70728
- DTXSID
DTXSID1061526- ChEMBL
CHEMBL2270558- UNII
- 56CE3A79HB
- EC Number
- 214-343-0
- Nikkaji
- J100.277E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 196
Experimental & physicochemical properties
PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 120 °C · ~120 °C
- Boiling point
- 118 · 118-125 °C
- Density
- 1.7168 · 1.7168 (estimate)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform, Methanol (Slightly, Heated)
- form
- Solid
- color
- White
- BRN
- 121027 · 121027
- InChI
- InChI=1S/C4Cl2O3/c5-1-2(6)4(8)9-3(1)7
- InChIKey
- AGULWIQIYWWFBJ-UHFFFAOYSA-N
- SMILES
- O1C(=O)C(Cl)=C(Cl)C1=O
- CAS DataBase Reference
- 1122 · 1122-17-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 56 CE3A79HB · 56CE3A79HB
- NIST Chemistry Reference
- 2 · 2,5-Furandione, 3,4-dichloro-(1122-17-4)
- EPA Substance Registry System
- Dichloromaleic anhydride (1122-17-4)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 341 · H341-H301+H311+H331-H314
- Precautionary statements
- 260 · P260-P280-P361+P364
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 2932190090 · 2932190090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2,5-Furandione, 3,4-dichloro-
2,5-Furandione, 3,4-dichloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Chloromaleic anhydride.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxicology
Adverse EffectsAsthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.
Safety data
- F
- 10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2932190090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS08
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H341-H301+H311+H331-H314
- Precautionary statements
- P260-P280-P361+P364
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Furandione, 3,4-dichloro-: ACTIVE
Applications
UsesDichloromaleic Anhydride is a derivative of Maleic Anhydride (M124400) found to have considerable antifungal activity against Botrytis cinerea.
Upstream & downstream products
Upstream raw materials
Downstream products
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