Grundinformationen
- Standard-SMILES
COc1ccc(N)c([N+](=O)[O-])c1- InChIKey
QFMJFXFXQAFGBO-UHFFFAOYSA-N- Summenformel
- C7H8N2O3
- Durchschnittliche Molmasse
- 168,15 g/mol
- Monoisotopische Masse
- 168,05349212
Überblick
4-methoxy-2-nitroaniline is a substituted aniline that is 3-nitroanisole in which the hydrogen para to the methoxy group is replaced by an amino group. It is a member of 3-nitroanisoles and a substituted aniline.
Namen und Bezeichner
- Bevorzugter Name
- 4-Methoxy-2-nitroaniline
- IUPAC
- 4-methoxy-2-nitroaniline
- Lokaler Name
- 4-Methoxy-2-nitro-anilin
- Englischer Name
- Azoic Diazo Component 1
- Summenformel
- C7H8N2O3
- Molmasse
- 168.15
Namen und Synonyme
4-Methoxy-2-nitroaniline96-96-82-Nitro-4-methoxyaniline4-Amino-3-nitroanisoleFast Bordeaux GP3-Nitro-4-aminoanisoleFast Bordeaux GP Basep-Anisidine, 2-nitro-Azobase NASDevol Bordeaux BBordeaux GP BaseBordeaux GP Salt
Weitere Namen anzeigen
2-NITRO-P-ANISIDINE2-Nitro-p-anisidine (NH2=1)4-methoxy-2-nitroanilin4-METHOXY-2-NITRO-PHENYLAMINEBenzenamine, 4-methoxy-2-nitro-Bordea
Bordeaux Base NGPBordeaux Salt NGPFast Bordeaux GDNFast Bordeaux GP SaltKako Bordeaux GP BaseAzofix Bordeaux GPDaito Bordeaux Base GPDiabase Bordeaux GP
Datenbank-Bezeichner
- CAS
96-96-8- PubChem CID
- 66793
- DTXSID
DTXSID3044750- ChEMBL
CHEMBL3184419- ChEBI
CHEBI:48973- UNII
- 1UYX3YYQ1G
- EC Number
- 202-547-2
- Nikkaji
- J96.208B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 81,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 169
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.86
Vapor Pressure0.000319 [mmHg]
Physical Description
CBI
Orange powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 123 · 123-126 °C(lit.)
- Siedepunkt
- 337.07 °C · 337.07°C (rough estimate)
- Dichte
- 1.2089 · 1.2089 (estimate)
- Dampfdruck
- 0.022 · 0.022-0.022Pa at 25℃
- Brechungsindex
- 1.601 · 1.6010 (estimate)
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 0.96 · 0.96±0.10(Predicted)
- Wasserlöslichkeit
- slightly soluble
- BRN
- 880318 · 880318
- LogP
- 1.94 at · 1.94 at 25℃
- CAS Datenbank
- 96 · 96-96-8(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · Benzenamine, 4-methoxy-2-nitro-(96-96-8)
- EPA chemische Informationen
- 4 · 4-Methoxy-2-nitroaniline (96-96-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H300: Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H300+H310+H330 (65.2%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: Benzenamine, 4-methoxy-2-nitro-
Benzenamine, 4-methoxy-2-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 4-methoxy-2-nitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 27-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13251
4-Methoxy-2-nitroaniline: HSNO Approval: HSR004302 Approved with controls
Hazards SummaryAn irritant; May induce methemoglobinemia; Highly toxic by ingestion, inhalation, and skin absorption; May have cumulative adverse effects; [Alfa Aesar MSDS] See 2-Methoxy-4-nitroaniline.
Hazard Classes and Categories
Acute Tox. 2 (100%)
Acute toxicity (inhalation) - category 2
Hazardous to the aquatic environment (Acute) - Category 2
Acute Tox. 1
Toxikologische Informationen
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 29222900
- RTECS-Nr.
- BY4415000
- risk_code
- 26/27/28-33-52/53
- hazard_code
- T+,T
- safety_code
- 28-36/37-45-61
- hazard_class
- 6.1
- packing_group
- II
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make fine chemicals and in scientific research and development; [ExPub: ECHA REACH Registrations]
U.S. Production2023: <50,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Benzenamine, 4-methoxy-2-nitro-: ACTIVE
Anwendungen
VerwendenToxic to some wild and domestic birds and mice. Molluscicidal activity
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: A substituted aniline that is 3-nitroanisole in which the hydrogen para to the methoxy group is replaced by an amino group.
Zugehörige Reaktionen
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