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2-Nitro-1,1'-biphenyl

2-Nitrobiphenyl

HCID 6829
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Grundinformationen

CAS
86-00-0
Standard-SMILES
O=[N+]([O-])c1ccccc1-c1ccccc1
InChIKey
YOJKKXRJMXIKSR-UHFFFAOYSA-N
Summenformel
C12H9NO2
Durchschnittliche Molmasse
199,2 g/mol
Monoisotopische Masse
199,06332853

Überblick

Gold to tan crystals or brown solid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2-Nitrobiphenyl
IUPAC
1-nitro-2-phenylbenzene
Lokaler Name
2-Nitro-1,1'-biphenyl
Englischer Name
2-Nitrobiphenyl
Summenformel
C12H9NO2
Molmasse
199.21

Namen und Synonyme

2-Nitrobiphenyl2-Nitrodiphenyl2-Nitro-1,1'-biphenylO-NITROBIPHENYL2'-NitrobiphenylCCRIS 962CP 368oNitrodiphenylDTXSID9025746Biphenyl, 2nitroNSC 55322Phenylnitrobenzene
Weitere Namen anzeigen
Onbcp368Nitrodiphenyl2-NitrobiphneylO-NITRODIPHENYL2-nitro-bipheny
EINECS 201-646-8UNII-8R1N47E4DT8R1N47E4DTAI3-02563NSC-55321,1'Biphenyl, 2nitroO-NITROBIPHENYL [MI]DTXCID505746

Datenbank-Bezeichner

CAS
86-00-0
PubChem CID
6829
DTXSID
DTXSID9025746
ChEMBL
CHEMBL1391678
UNII
8R1N47E4DT
EC Number
201-646-8
Nikkaji
J3.892J

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
3,7
Polarare Oberfläche (TPSA)
45,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
15
Formalladung
0
Komplexität
218

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesSchoenflies notation
Density1.203 at 77 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Flash Point290 °F (NTP, 1992)
Boiling Point608 °F at 760 mmHg (NTP, 1992)
Melting Point97 to 100 °F (NTP, 1992)
Vapor Density5.9 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure2 mmHg at 284 °F (NTP, 1992)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, 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.

Gefahrenhinweise

Fire HazardsThis compound is combustible. (NTP, 1992)
Hazards SummaryCauses coma, dyspnea, and weight loss in oral lethal-dose studies of rats and rabbits; [RTECS] May cause irritation; Harmful by ingestion, inhalation, and skin absorption; Suspected carcinogen; [Sigma-Aldrich MSDS] See 4-Nitrobiphenyl.
Reactive GroupHydrocarbons, Aromatic
Reactivity Profile · 1 Eintrag

Aromatic nitro compounds, such as 2-NITRO-1,1'-BIPHENYL, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used as a plasticizer for resins, cellulose acetate and nitrate, and polystyrenes, as a fungicide for textiles, wood preservative, and dye intermediate; [Merck Index]

Applying Wood Preservatives [Category: Other]

Anwendungen

Verwenden2-Nitrobiphenyl is used as a plasticizer for resins, cellulose acetate, cellulose nitrate, and polystyrenes; as a fungicide for textiles; as a wood preservative; and as a dye intermediate.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Biphenyl-2-ylamin2,7-Dibromo-9,9'-spiro-bifluorene2,5-DIBROMOBIPHENYLN-methylbiphenyl-2-amine4'-iodo-2-nitro-1,1'-biphenyl

Zugehörige Reaktionen

22
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 7090
HRID 7090als Eduktuspto-grants-2006_08
Reaktionsgleichung von HRID 97899
HRID 97899als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 179723
HRID 179723als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 285225
HRID 285225als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaktionsgleichung von HRID 289648
HRID 289648als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaktionsgleichung von HRID 436615
HRID 436615als Eduktuspto-grants-1977_02
Reaktionsgleichung von HRID 436617
HRID 436617als Eduktuspto-grants-1977_02
Reaktionsgleichung von HRID 628213
HRID 628213als Eduktuspto-grants-2016_04
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Physical Description · 2 Einträge

Gold to tan crystals or brown solid. (NTP, 1992)

Solid with a sweetish odor; mp = 36.7 deg C; [Merck Index] Gold to tan or brown solid; [CAMEO] Light yellow solid; mp = 36-38 deg C; [Sigma-Aldrich MSDS]

Autoignition Temperature356 °F (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
36 · 36-38 °C(lit.)
Siedepunkt
320 °C · 320 °C
Dichte
1.44 · 1.44
Dampfdichte
5.9 · 5.9 (vs air)
Dampfdruck
2 mm · 2 mm Hg ( 140 °C)
Brechungsindex
1.613 · 1.613-1.615
Flammpunkt
230 °F · >230 °F
Aggregatzustand
powder to lump
Farbe
White to Yellow to Green
Wasserlöslichkeit
Insoluble
Merck
14 · 14,6591
Henry's Law Constant
1.6 · 1.6×101 mol/(m3Pa) at 25℃, Parnis et al. (2015)
InChI
InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
YOJKKXRJMXIKSR-UHFFFAOYSA-N
SMILES
C1(C2=CC=CC=C2)=CC=CC=C1[N+]([O-])=O
CAS Datenbank
86 · 86-00-0(CAS DataBase Reference)
NIST chemische Informationen
1 · 1,1'-Biphenyl, 2-nitro-(86-00-0)
EPA chemische Informationen
o-Nitrobiphenyl (86-00-0)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

wgk
3
hs_code
2904.20.5000
RTECS-Nr.
DV5530000
risk_code
20/21/22-40-68-22
hazard_code
Xn
safety_code
2-7-36-45-36/37