4-Chlorophthalic anhydride
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Basic information
- CAS
118-45-6- Standard SMILES
O=C1OC(=O)c2cc(Cl)ccc21- InChIKey
BTTRMCQEPDPCPA-UHFFFAOYSA-N- Molecular formula
- C8H3ClO3
- Average molar mass
- 182.56 g/mol
- Monoisotopic mass
- 181.97707164
Names & identifiers
- Preferred name
- 4-Chlorophthalic anhydride
- IUPAC
- 5-chloro-2-benzofuran-1,3-dione
- English name
- 4-Chlorophthalic anhydride
- Molecular formula
- C8H3ClO3
- Molecular weight
- 182.56
Names & synonyms
4-Chlorophthalic anhydride118-45-65-chloroisobenzofuran-1,3-dione5-Chloro-2-benzofuran-1,3-dione4-chlorophthalic acid anhydride1,3-Isobenzofurandione, 5-chloro-5-chlorophthalic anhydrideBPI93D0O61EINECS 204-251-9UNII-BPI93D0O61P-CHLOROPHTHALIC ANHYDRIDEDTXSID30151993
Show more names
CHLOROPHTHALIC ANHYDRIDE4-ChlorophthalicChlorophtalicanhydre,95%4-Chlorophtalic anhydride4-Chlorophthalic anhydridoroisobenzofuran-1,3-dioneChlorophthalicAnhydride,4-
EC 204-251-9PHTHALIC ANHYDRIDE, 4-CHLORO-RefChem:98612DTXCID9074484204-251-9BTTRMCQEPDPCPA-UHFFFAOYSA-NInChI=1/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3MFCD00152354
Database identifiers
- CAS
118-45-6- PubChem CID
- 67044
- DTXSID
DTXSID30151993- UNII
- BPI93D0O61
- EC Number
- 204-251-9
- Nikkaji
- J141.265E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 96 °C · 96°C
- Boiling point
- 290 °C · 290 °C
- Density
- 1.594 · 1.594±0.06 g/cm3(Predicted)
- vapor pressure
- 0.058 · 0.058-0.058Pa at 25℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Toluene
- form
- Solid:particulate/powder
- color
- White to Almost white
- InChI
- InChI=1S/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
- InChIKey
- BTTRMCQEPDPCPA-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=C(Cl)C=C2)C(=O)O1
- LogP
- 2.713 · 2.713
- CAS DataBase Reference
- 118 · 118-45-6(CAS DataBase Reference)
- FDA UNII
- 93 D0O61 · BPI93D0O61
- Symbol(GHS)
- 5 · GHS05
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 7 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Regulation (EC) No 1935/2004 (amended)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Cease Manufacture Update: 18-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/12546
Hazard Classes and CategoriesSkin Irrit. 2 (57.1%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2932990090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- safety_code
- 26-36/37/39
- Hazard statements
- H318
- REACH Registrations
- Inactive
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Isobenzofurandione, 5-chloro-: ACTIVE
Applications
Uses4-chlorophthalic anhydride is an important monomer synthesis of polyimide and polyimide is considered to be the highest tolerance has been industrialized in the polymer and the shape and chemical stability of other materials can not like the outburst strength, wear resistance and extreme temperatures, excellent, has been widely used in aviation, aerospace, microelectronics and atom to the field of high technology. 4- of 4-chlorophthalic anhydride is mainly used in the synthesis of diphenyl ether dianhydride anhydride, two single and two double ether, thioether dianhydride anhydride two, two, and two amine polymerization ring was a series of polyimide engineering plastic with excellent performance. 4- of 4-chlorophthalic anhydride is not only the ideal raw material for the synthesis of various intermediates of polyimide, and can be used as a drug or pesticide.
Preparation methods
PreparationA preparation method of 4-chlorophthalic anhydride uses monosodium phthalic acid as a raw material, uses water as a medium, uses a weak alkali solution as a pH regulator of a reaction system, and directly performs chlorination reaction with chlorine gas. The weak alkali solution is used as the pH regulator of the reaction system, which is beneficial to stabilizing the pH value of the reaction system, and can obtain high-yield 4-chlorophthalic acid monosodium coarse salt. The crude salt is desalted, dehydrated and closed to obtain a crude product of 4-chlorophthalic anhydride, which is purified by rectification to obtain high-purity 4-chlorophthalic anhydride.
Upstream & downstream products
Upstream raw materials
Related reactions
58 records
Compound notes
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