4,5-Dichlorophthalic anhydride

HCID 70334

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Basic information

CAS: 942-06-3
Standard SMILES: O=C1OC(=O)c2cc(Cl)c(Cl)cc21
InChIKey: ULSOWUBMELTORB-UHFFFAOYSA-N
Molecular formula: C8H2Cl2O3
Average molar mass: 217 g/mol
Monoisotopic mass: 215.93809928

Names & identifiers

Preferred name: 4,5-Dichlorophthalic anhydride
IUPAC: 5,6-dichloro-2-benzofuran-1,3-dione
English name: 4,5-DICHLOROPHTHALIC ANHYDRIDE
Molecular formula: C8H2Cl2O3
Molecular weight: 217.01

Names & synonyms

4,5-Dichlorophthalic anhydride942-06-3EINECS 213-386-2DTXSID10240970RefChem:507690DTXCID40163461213-386-25,6-dichloroisobenzofuran-1,3-dione5,6-Dichloro-2-benzofuran-1,3-dione1,3-Isobenzofurandione, 5,6-dichloro-MFCD00075034C8H2Cl2O3

Show more names

AKOS 923554,5-Dichlorophalic anhydride4,5-DichlorophthalicAnhydride>4,5-Dichlorophthalic anhydride 98%4,5-Dichlorophthalic anhydride，95%4,5-DICHLOROPHTHALIC ANHYDRIDE 98+%

4,5-Dichlorophthalicanhydride5,6-Dichloro-1,3-Dihydro-2-Benzofuran-1,3-DioneSCHEMBL798334.5-dichlorophthalic anhydrideCHEMBL2270552SBB0616594,5-Dichlorophthalic Acid, Anhydride4,5-Dichlorophthalic anhydride, 98%

Database identifiers

CAS: 942-06-3
PubChem CID: 70334
DTXSID: DTXSID10240970
ChEMBL: CHEMBL2270552
EC Number: 213-386-2
Nikkaji: J153.003H

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 240

Physicochemical properties

Melting point: 185 · 185-187 °C(lit.)
Boiling point: 313 °C · 313°C(lit.)
Density: 1.5974 · 1.5974 (estimate)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: Chloroform (Slightly)
form: Powder
color: Light gray to pale blue
Stability: Moisture Sensitive
InChI: InChI=1S/C8H2Cl2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2H
InChIKey: ULSOWUBMELTORB-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(Cl)C(Cl)=C2)C(=O)O1
CAS DataBase Reference: 942 · 942-06-3(CAS DataBase Reference)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29173995 · 29173995
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29173995
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313