CAS 826-97-1 2,4,6-Tribromophenyl isocyanate (HCID 3386643)

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Grundinformationen

CAS: 826-97-1
Standard-SMILES: O=C=Nc1c(Br)cc(Br)cc1Br
InChIKey: NGVBAZXOCBEMDK-UHFFFAOYSA-N
Summenformel: C7H2Br3NO
Durchschnittliche Molmasse: 355,81 g/mol
Monoisotopische Masse: 352,76865

Namen und Bezeichner

Bevorzugter Name: 2,4,6-Tribromophenyl isocyanate
IUPAC: 1,3,5-tribromo-2-isocyanatobenzene
Englischer Name: 2 4 6-TRIBROMOPHENYL ISOCYANATE 97
Summenformel: C7H2Br3NO
Molmasse: 355.81

Namen und Synonyme

2,4,6-Tribromophenyl isocyanate826-97-1DTXSID40392012RefChem:442868DTXCID20342873622-064-41,3,5-tribromo-2-isocyanatobenzene2,4,6-tribromophenylisocyanateSCHEMBL2728021NGVBAZXOCBEMDK-UHFFFAOYSA-NAKOS0091572852,4,6-Tribromophenyl isocyanate, 97%

Weitere Namen anzeigen

2,4,6-tribroMophenyl MaleiMid2 4 6-TRIBROMOPHENYL ISOCYANATE 97Benzene, 1,3,5-tribroMo-2-isocyanato-

InChI=1/C7H2Br3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2

Datenbank-Bezeichner

CAS: 826-97-1
PubChem CID: 3386643
DTXSID: DTXSID40392012
EC Number: 622-064-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,8
Polarare Oberfläche (TPSA): 29,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 193

Physikochemische Eigenschaften

Schmelzpunkt: 94 · 94-97 °C(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 39 reports by companies from 2 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.