2-Amino-6-bromobenzonitrile

HCID 9813038CAS 77326-62-6

Grundinformationen

Standard-SMILES
N#Cc1c(N)cccc1Br
InChIKey
ZKZYTSGUONPOPF-UHFFFAOYSA-N
Summenformel
C7H5BrN2
Durchschnittliche Molmasse
197,03 g/mol
Monoisotopische Masse
195,96361

Namen und Bezeichner

Bevorzugter Name
2-Amino-6-bromobenzonitrile
IUPAC
2-amino-6-bromobenzonitrile
Englischer Name
2-amino-6-bromobenzonitrile
Summenformel
C7H5BrN2
Molmasse
197.03

Namen und Synonyme

2-amino-6-bromobenzonitrile77326-62-6DTXSID30431045RefChem:255794DTXCID10381877822-956-5Benzonitrile, 2-amino-6-bromo-MFCD098347692-amino-6-bromo-benzonitrileSCHEMBL619229CL8148AKOS005259163
Weitere Namen anzeigen
3-Bromo-2-cyanoanilineBromo-6-amino-benzonitrile2-Amino-6-bromobenzonitrile,95%2-Amino-6-bromobenzonitrile 97%
CS-W010573PS-3957SY004370EN300-1035072-Bromo-6-aminobenzonitrileAM61672FT-0684420A26616

Datenbank-Bezeichner

CAS
77326-62-6
PubChem CID
9813038
DTXSID
DTXSID30431045
EC Number
822-956-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
49,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
152 · 152-154℃
Siedepunkt
343.3 · 343.3±32.0 °C(Predicted)
Dichte
1.68 · 1.68
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
0.74 · 0.74±0.10(Predicted)
Aggregatzustand
Powder

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 4 reports by companies from 4 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. 3 (50%);Acute Tox. 4 (50%);Acute Tox. 4 (25%);Skin Irrit. 2 (75%);Eye Irrit. 2 (50%);Acute Tox. 4 (25%);STOT SE 3 (25%)

Sicherheitsdaten

ridadr
UN2811
hs_code
2926907090
hazard_class
6.1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-amino-6-bromobenzonitrile is a versatile building block that can be used to create a range of compounds, such as 4'-methoxy-3-(phenylethynyl)-[1,1'-biphenyl]-2-carbonitrile, etc. Substituted phenylboronic acid (6 mmol), 2-amino-6-bromobenzonitrile (5 mmol), PdCl2(PPh3)2 (35.0 mg, 0.05 mmol) and Cs2CO3 (4.89 g, 15.0 mmol) were added in CH3CN (20 mL) and H2O (1.6 mL). The reaction mixture was stirred at 80 she℃ under an argon atmosphere for 12 h. After the reaction, the mixture was cooled to room temperature and extracted with EtOAc (40 × 3 mL). The combined organic phase was washed with brine (40 mL), and dried over anhydrous MgSO4. The solvent was removed under vacuum to give the crude product C without further purification.

Anbieter50 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

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