5-Bromo-2-iodobenzonitrile

HCID 7020874

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Grundinformationen

CAS: 121554-10-7
Standard-SMILES: N#Cc1cc(Br)ccc1I
InChIKey: JIGKPMMZNMQXDL-UHFFFAOYSA-N
Summenformel: C7H3BrIN
Durchschnittliche Molmasse: 307,91 g/mol
Monoisotopische Masse: 306,84936

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-iodobenzonitrile
IUPAC: 5-bromo-2-iodobenzonitrile
Englischer Name: 5-Bromo-2-iodobenzonitrile
Summenformel: C7H3BrIN
Molmasse: 307.91

Namen und Synonyme

5-Bromo-2-iodobenzonitrile121554-10-7DTXSID30427307RefChem:102133DTXCID10378141601-788-4Benzonitrile, 5-bromo-2-iodo-MFCD006729505-Bromo-2-iodo-benzonitrileSCHEMBL1425235-bromo-2-iodobenzenecarbonitrileAKOS015834756

Weitere Namen anzeigen

iodo-Benzonitrile2-Iodo-5-Bromobenzonitrile2-iodo-5-bromophenyl a nitrile5-Bromo-2-iodobenzonitrile >5-BROMO-2-IODOBENZONITRILE, 98+%

CS-W008515AC-26113SY016992AM61304FT-0620097SCHEMBL29439578SBB064618DS-1630

Datenbank-Bezeichner

CAS: 121554-10-7
PubChem CID: 7020874
DTXSID: DTXSID30427307
EC Number: 601-788-4
Nikkaji: J2.211.063B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Schmelzpunkt: 120 · 120-122°C
Siedepunkt: 310.4 · 310.4±27.0 °C(Predicted)
Dichte: 2.13 · 2.13
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
BRN: 4860282 · 4860282
CAS Datenbank: 121554 · 121554-10-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (83.3%): 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 (83.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (83.3%): 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 6 reports by companies from 3 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 (83.3%)；Acute Tox. 4 (83.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (83.3%)；STOT SE 3 (83.3%)