Phenylmaleic anhydride

HCID 99174

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Basic information

CAS: 36122-35-7
Standard SMILES: O=C1C=C(c2ccccc2)C(=O)O1
InChIKey: QZYCWJVSPFQUQC-UHFFFAOYSA-N
Molecular formula: C10H6O3
Average molar mass: 174.15 g/mol
Monoisotopic mass: 174.03169405

Names & identifiers

Preferred name: Phenylmaleic anhydride
IUPAC: 3-phenylfuran-2,5-dione
English name: Phenylmaleic anhydride
Molecular formula: C10H6O3
Molecular weight: 174.15

Names & synonyms

Phenylmaleic anhydride3-Phenylfuran-2,5-dione36122-35-73-Phenyl-2,5-furandione3-Phenyl-2,5-dihydrofuran-2,5-dione2,5-Furandione, 3-phenyl-phenyl maleic anhydride4UE4F66S87NSC-191772DTXSID70189699NSC 191772RefChem:173079

Show more names

2-Phenylmaleic anhydride2,5-Furandione,3-phenyl-PhenylmaleicAnhydride>PhenylmaleinsαureanhydridPhenylmaleicanhydride,97%Phenylmaleic anhydride,99%

DTXCID80112190QZYCWJVSPFQUQC-UHFFFAOYSA-N3-Phenyl-furan-2,5-dioneMFCD00015472Phenylmaleic anhydride, 99%EINECS 252-881-8NSC1917723-phenylmaleic anhydride

Database identifiers

CAS: 36122-35-7
PubChem CID: 99174
DTXSID: DTXSID70189699
ChEMBL: CHEMBL2270556
UNII: 4UE4F66S87
EC Number: 252-881-8
Nikkaji: J209.340E、J800.866C

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 272

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 120 · 120-122 °C (lit.)
Boiling point: 265.11 °C · 265.11°C (rough estimate)
Density: 1.2346 · 1.2346 (rough estimate)
refractive index: 1.5036 · 1.5036 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Powder or Needles
color: White to light brown
Sensitive: Moisture Sensitive
BRN: 127301 · 127301
InChI: InChI=1S/C10H6O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6H
InChIKey: QZYCWJVSPFQUQC-UHFFFAOYSA-N
SMILES: O1C(=O)C=C(C2=CC=CC=C2)C1=O
CAS DataBase Reference: 36122 · 36122-35-7(CAS DataBase Reference)
FDA UNII: 4 UE4F66S87 · 4UE4F66S87
NIST Chemistry Reference: Phenylmaleic anhydride(36122-35-7)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H302-H312-H332
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P280
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29173990 · 29173990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 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 CategoriesAcute Tox. 4 (90.7%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29173990
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335-H302-H312-H332
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P280