2-Bromo-6-nitrotoluene

HCID 123537CAS 55289-35-5
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Grundinformationen

Standard-SMILES
Cc1c(Br)cccc1[N+](=O)[O-]
InChIKey
LYTNSGFSAXWBCA-UHFFFAOYSA-N
Summenformel
C7H6BrNO2
Durchschnittliche Molmasse
216,03 g/mol
Monoisotopische Masse
214,95819

Namen und Bezeichner

Bevorzugter Name
2-Bromo-6-nitrotoluene
IUPAC
1-bromo-2-methyl-3-nitrobenzene
Englischer Name
2-Bromo-6-nitrotoluene
Summenformel
C7H6BrNO2
Molmasse
216.03

Namen und Synonyme

2-Bromo-6-nitrotoluene55289-35-56-Bromo-2-nitrotolueneBenzene, 1-bromo-2-methyl-3-nitro-EINECS 259-566-4Toluene, 2-bromo-6-nitro-DTXSID00203791RefChem:85818DTXCID30126282259-566-4InChI=1/C7H6BrNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1HLYTNSGFSAXWBCA-UHFFFAOYSA-N
Weitere Namen anzeigen
2-Bromo-6-nitrotoL2-Bromo-6-Nitrotolune2-Bromo-6-nitrotoluene >2-BROMO-6-NITROTOLUENE 98+%2-Bromo-6-nitrotoluene, 95%2-methyi-3-nitrobromobenzene
1-Bromo-2-methyl-3-nitrobenzeneMFCD000097921-bromo-2-methyl-3-nitro-benzene3-bromo-2-methyl-1-nitrobenzene2-bromo-6-nitro toluene2-nitro-6-bromo-tolueneSCHEMBL160622orb2939943

Datenbank-Bezeichner

CAS
55289-35-5
PubChem CID
123537
DTXSID
DTXSID00203791
EC Number
259-566-4
Nikkaji
J236.410G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,2
Polarare Oberfläche (TPSA)
45,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1345.8

Physikochemische Eigenschaften

Schmelzpunkt
38 · 38-40 °C (lit.)
Siedepunkt
143 °C/22 · 143 °C/22 mmHg (lit.)
Dichte
1.6841 · 1.6841 (rough estimate)
Brechungsindex
1.612 · 1.6120 (estimate)
Flammpunkt
110 °C · >110°C
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.9%): 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 49 reports by companies from 9 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 (14.3%)；Acute Tox. 4 (12.2%)；Skin Irrit. 2 (98%)；Eye Irrit. 2 (98%)；STOT SE 3 (95.9%)

Sicherheitsdaten

wgk
3
ridadr
UN 2810 6.1/PG 1
hs_code
29049090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39-24/25

Chemie und Industrie

Anwendungen

Verwenden2-Bromo-6-nitrotoluene has been used:as starting reagent in total synthesis of N-acetyl methyl ester of (±)-clavicipitic acidsin synthesis of carbazomadurin A, highly oxygenated neuronal cell protecting carbazole alkaloid

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

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