2-Methyl-4-nitroanisol

2-Methyl-4-nitrophenol

HCID 7442CAS 99-53-6
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Grundinformationen

Standard-SMILES
Cc1cc([N+](=O)[O-])ccc1O
InChIKey
KDQPMQNHVQVVMR-UHFFFAOYSA-N
Summenformel
C7H7NO3
Durchschnittliche Molmasse
153,14 g/mol
Monoisotopische Masse
153,04259309

Namen und Bezeichner

Bevorzugter Name
2-Methyl-4-nitrophenol
IUPAC
2-methyl-4-nitrophenol
Lokaler Name
2-Methyl-4-nitroanisol
Englischer Name
2-Methyl-4-nitrophenol
Summenformel
C7H7NO3
Molmasse
153.14

Namen und Synonyme

2-METHYL-4-NITROPHENOL99-53-64-Nitro-o-cresolPhenol, 2-methyl-4-nitro-2-Hydroxy-5-nitrotoluenep-Nitro-o-cresolo-Cresol, 4-nitro-4-Nitro-2-methylphenolNSC 1022EINECS 202-763-7UNII-105DL35HIBBRN 1365535
Weitere Namen anzeigen
2-METHYL-4-NITROPHENOL (4-NITRO-O-CRESOL)4-nitro-o-creso4-NITRO-2-CRESOL4-NITRO-0-CRESOL4-Nitro-o-cresol>2-METHYL-4-NITROPHEN4-Nitro-o-cresol (OH=1)
105DL35HIB1-hydroxy-2-methyl-4-nitrobenzeneNSC-1022DTXSID40738894-06-00-02011 (Beilstein Handbook Reference)RefChem:88138DTXCID0049107Phenol, 2-methyl-4-nitro-(9CI)

Datenbank-Bezeichner

CAS
99-53-6
PubChem CID
7442
DTXSID
DTXSID4073889
ChEMBL
CHEMBL107610
UNII
105DL35HIB
EC Number
202-763-7
Nikkaji
J67.717E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
66,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1588；1571

1644；1665

Physikochemische Eigenschaften

Schmelzpunkt
93 · 93-98 °C(lit.)
Siedepunkt
266.03 °C · 266.03°C (rough estimate)
Dichte
1.2744 · 1.2744 (estimate)
Brechungsindex
1.5744 · 1.5744 (estimate)
storage temp.
Inert atmosphere,Room Temperature
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): 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, 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 40 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 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

Sicherheitsdaten

wgk
3
ridadr
UN 2446 6.1/PG 3
hs_code
2908990000
RTECS-Nr.
GP2700000
risk_code
22-36/37/38
Toxizität
LD50 oral(mouse) 390 mg/kg

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Methyl-4-nitrophenol is suitable as a target compound in the study on measurement of methylnitrophenol concentrations and stable isotope ratios in the atmospheric particulate matter and as an internal standard in the determination of monoaromatic nitro compounds in atmospheric aerosols using high performance liquid chromatography electrospray tandem mass spectrometry (HPLC/ESI-MS/MS) method.It may be used as starting material in the synthesis of 2-bromo-4-nitro-6-methylphenol.

Darstellung

synthetische2-methyl-4-nitrophenol is prepared by the reaction of 2-methyl-4-nitroaniline with sodium hydroxide and hydrochloric acid.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
济南春和景明医药技术有限公司0531-88566150 15275186862
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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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