4-Bromphthalsureanhydrid

4-Bromophthalic anhydride

HCID 66590CAS 86-90-8

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Grundinformationen

Standard-SMILES: O=C1OC(=O)c2cc(Br)ccc21
InChIKey: BCKVHOUUJMYIAN-UHFFFAOYSA-N
Summenformel: C8H3BrO3
Durchschnittliche Molmasse: 227,01 g/mol
Monoisotopische Masse: 225,92656

Namen und Bezeichner

Bevorzugter Name: 4-Bromophthalic anhydride
IUPAC: 5-bromo-2-benzofuran-1,3-dione
Lokaler Name: 4-Bromphthalsureanhydrid
Englischer Name: 4-Bromo phthalic anhydrus
Summenformel: C8H3BrO3
Molmasse: 227.01

Namen und Synonyme

4-Bromophthalic anhydride86-90-85-bromoisobenzofuran-1,3-dione4-Bromo Phthalic anhydride2D7E8SD3ZF5-BROMO-ISOBENZOFURAN-1,3-DIONEEINECS 201-707-9DTXSID70235342RefChem:520543DTXCID70157833201-707-95-Bromo-2-benzofuran-1,3-dione

Weitere Namen anzeigen

4-BPA4-BrPATIMTEC-BB SBB0085344-Bromophthal Anhydride4-Bromophtalic Anhydride5-Bromo-2-Benzofuran-1,3

5-bromo-1,3-dihydro-2-benzofuran-1,3-dione1,3-Isobenzofurandione, 5-bromo-MFCD001913234-Bromophthalicanhydride5-bromophthalic anhydride4-Bromo-phthalic anhydride4-BROMOPHTHALIC ACID ANHYDRIDE5-BROMO-1,3-ISOBENZOFURANDIONE

Datenbank-Bezeichner

CAS: 86-90-8
PubChem CID: 66590
DTXSID: DTXSID70235342
UNII: 2D7E8SD3ZF
EC Number: 201-707-9
Nikkaji: J141.261B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 238

Physikochemische Eigenschaften

Schmelzpunkt: 107 °C · 107 °C
Siedepunkt: 301 °C · 301 °C
Dichte: 1.911 · 1.911
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: very soluble in Benzene
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: InChI=1S/C8H3BrO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChIKey: BCKVHOUUJMYIAN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(Br)C=C2)C(=O)O1
CAS Datenbank: 86 · 86-90-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (16.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Skin Sens. 1 (33.3%)；Eye Dam. 1 (16.7%)；Eye Irrit. 2 (83.3%)；Resp. Sens. 1 (16.7%)；STOT SE 3 (66.7%)