Diphenic anhydride

HCID 72794

Notes Reactions

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Basic information

CAS: 6050-13-1
Standard SMILES: O=c1oc(=O)c2ccccc2c2ccccc12
InChIKey: RTSGJTANVBJFFJ-UHFFFAOYSA-N
Molecular formula: C14H8O3
Average molar mass: 224.21 g/mol
Monoisotopic mass: 224.04734412

Overview

structure given in first source

Names & identifiers

Preferred name: Diphenic anhydride
IUPAC: benzo[d][2]benzoxepine-5,7-dione
English name: Diphenic anhydride
Molecular formula: C14H8O3
Molecular weight: 224.21

Names & synonyms

Diphenic anhydride6050-13-1Dibenz[c,e]oxepin-5,7-dioneNSC-67689NSC-116225242JKB9TPDDibenz(c,e)oxepin-5,7-dioneDTXSID0064094RefChem:134637DTXCID0042822227-950-0dibenzo[c,e]oxepine-5,7-dione

Show more names

DIPHENIC ANHYDRO-DIPHENIC ANHYDRIDE2,2-United anhydrideDiphenicanhydride,98%Diphenic anhydride 98%Diphenic Anhydride >

2,2'-Biphenyldicarboxylic anhydridebenzo[d][2]benzoxepine-5,7-dione2,2'-Diphenyldicarboxylic anhydridediphenic acid anhydrideMFCD00004993NSC 67689MLS002693609Dibenz[c,7-dione

Database identifiers

CAS: 6050-13-1
PubChem CID: 72794
DTXSID: DTXSID0064094
ChEMBL: CHEMBL1897807
UNII: 242JKB9TPD
EC Number: 227-950-0
Nikkaji: J208.326D

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 304

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 225 · 225-227 °C (lit.)
Boiling point: 325.61 °C · 325.61°C (rough estimate)
Density: 1.2337 · 1.2337 (rough estimate)
refractive index: 1.54 · 1.5400 (estimate)
storage temp.: Inert atmosphere,Room Temperature
form: Crystalline Powder or Flakes
color: White to beige or grayish-brown
Water Solubility: decomposes
Sensitive: Moisture Sensitive
BRN: 171255 · 171255
InChI: 1S/C14H8O3/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(16)17-13/h1-8H
InChIKey: RTSGJTANVBJFFJ-UHFFFAOYSA-N
SMILES: O=C1OC(=O)c2ccccc2-c3ccccc13
CAS DataBase Reference: 6050 · 6050-13-1(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2,2'-Biphenyldicarboxylic anhydride(6050-13-1)
EPA Substance Registry System: -5 · Dibenz[c,e]oxepin-5,7-dione (6050-13-1)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a-P261-P305+P351+P338
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 · 26-37/39-7/8-24/25-37
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29173990 · 29173990
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 45 reports by companies from 5 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
tsca: TSCA listed
hs_code: 29173990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-7/8-24/25-37
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: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a-P261-P305+P351+P338