4-Nitrodiphenylamine (HCID 13271)

Namen und Bezeichner

Bevorzugter Name: 4-Nitrodiphenylamine
IUPAC: 4-nitro-N-phenylaniline
Lokaler Name: 4-Nitro-N-phenylanilin
Englischer Name: 4-Nitrodiphenylamine
Summenformel: C12H10N2O2
Molmasse: 214.22

Namen und Synonyme

4-NITRODIPHENYLAMINE836-30-64-Nitro-N-phenylanilinep-Nitrodiphenylamine(4-nitrophenyl)phenylamineBenzenamine, 4-nitro-N-phenyl-Diphenylamine, 4-nitro-p-Nitrophenylphenylamine4-Nitrodifenylamin4-NdpaN-(4-Nitrophenyl)benzenamineAmine, diphenyl, 4-nitro-

Weitere Namen anzeigen

NSC 33836TIMTEC-BB SBB0080554-nitro-diphenylaminGlycerol Impurity 77diphenyl,4-nitro-aminLABOTEST-BB LT01487848

4-Nitro-diphenylamineMFCD000073014-nitro-N-phenyl-anilineEINECS 212-646-2BRN 2051910MLS000584664DTXSID8027323AI3-02915

Datenbank-Bezeichner

CAS: 836-30-6
PubChem CID: 13271
DTXSID: DTXSID8027323
ChEMBL: CHEMBL1323785
UNII: 5ZOC179N5D
EC Number: 212-646-2
Nikkaji: J38.267A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 57,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 226

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials PropertiesBoiling point

LogP · 2 Einträge

3.82

3.74

Color/FormYELLOW NEEDLES OR TABLETS FROM CARBON TETRACHLORIDE

Solubility · 3 Einträge

INSOL IN WATER; VERY SOL IN ALCOHOL, ACETIC ACID

SOL IN CONCN SULFURIC ACID

Solubility in water: none

Flash Point · 2 Einträge

190 °C

190 °C o.c.

Physikochemische Eigenschaften

Schmelzpunkt: 132 · 132-135 °C (lit.)
Siedepunkt: 211 °C · 211 °C (30 mmHg)
Dichte: 1.2042 · 1.2042 (rough estimate)
Brechungsindex: 1.666 · 1.6660 (estimate)
Flammpunkt: 190 °C · 190°C
storage temp.: Refrigerator
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: -2.6 · -2.60±0.20(Predicted)
Farbe: Orange to Brown
Wasserlöslichkeit: INSOLUBLE
BRN: 2051910 · 2051910
Henry's Law Constant: 2.4 · 2.4×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
InChIKey: XXYMSQQCBUKFHE-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(Nc2ccccc2)cc1
CAS Datenbank: 836 · 836-30-6(CAS DataBase Reference)
NIST chemische Informationen: N-(4-Nitrophenyl)-N-phenylamine(836-30-6)
EPA chemische Informationen: 4 · 4-Nitrodiphenylamine (836-30-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 3.6% (3 of 83) of reports.

Warning

H315 (91.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 83 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory InformationChemical: Benzenamine, 4-nitro-N-phenyl-

Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.

Hazards SummaryCan induce methemoglobinemia; [ICSC] Emergency treatment: Methemoglobinemia; [HSDB] An irritant; [Alfa Aesar MSDS]

UN ClassificationUN Hazard Class: 4.1; UN Pack Group: III

Chemical DangersDecomposes on heating and on burning. This produces toxic fumes of nitrogen oxides. Reacts with strong oxidants.

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (91.6%)

Specific target organ toxicity - Repeated exposure - Category 1 (blood system), Category 2 (kidney)

Sicherheit und Schutzausrüstung

Fire FightingUse water spray, powder, foam, carbon dioxide.

First Aid Measures · 4 Einträge

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Refer for medical attention .

Safe StorageSeparated from strong oxidants and strong bases. Cool. Dry.

Spillage Disposal · 1 Eintrag

Personal protection: self-contained breathing apparatus. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

Eye PreventionWear safety goggles or eye protection in combination with breathing protection.

Fire PreventionNO open flames.

Toxikologische Informationen

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.

Signs and Symptoms · 2 Einträge

Blue lips, fingernails and skin. Dizziness. Headache. Confusion. Convulsions. Nausea. Unconsciousness.

See Inhalation.

ICSC Environmental DataThe substance is very toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment. The substance may cause long-term effects in the aquatic environment.

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 3077
hs_code: 29214400
RTECS-Nr.: JJ9600000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39-36
hazard_class: 9
packing_group: III
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 836-30-6(Hazardous Substances Data)
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a chemical intermediate; [OECD SIDS: Benzenamine, 4-nitro-N-phenyl - 1998]

General Manufacturing InformationBenzenamine, 4-nitro-N-phenyl-: ACTIVE

Anwendungen

Verwenden4-Nitrodiphenylamine was used to study reduction of nitrated diphenylamine derivatives in sediment water batch enrichments and dense cell suspensions of anaerobic, aromatic-compound-mineralizing pure bacterial cultures.