2-Nitro-1,1'-biphenyl

2-NITROBIPHENYL · Onb · cp368 · Nitrodiphenyl · 2-Nitrobiphneyl · o-Nitrobiphenyl · O-NITRODIPHENYL · 2-NITRODIPHENYL

Identifikatoren & physikalische Daten

CAS No.	86-00-0
Summenformel	C12H9NO2
Durchschnittliche Molmasse	199,2 g/mol
Monoisotopische Masse	199,06332853 g/mol
SMILES	O=[N+]([O-])c1ccccc1-c1ccccc1
InChIKey	YOJKKXRJMXIKSR-UHFFFAOYSA-N
PubChem CID	6829
ChEMBL	CHEMBL1391678
EC No.	201-646-8
DTXSID	DTXSID9025746
Lokaler Name	2-Nitro-1,1'-biphenyl

Chemische & physikalische Eigenschaften

XLogP	3,7
Polarare Oberfläche (TPSA)	45,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	15
Formalladung	0
Komplexität	218
Dichte	1.203 at 77 °F (NTP, 1992) - Denser than waterwill sink1.44
Löslichkeit	less than 1 mg/mL at 72 °F (NTP, 1992)Insoluble
Flammpunkt	290 °F (NTP, 1992)>230 °F
Siedepunkt	608 °F at 760 mmHg (NTP, 1992)320 °C
Schmelzpunkt	97 to 100 °F (NTP, 1992)36-38 °C(lit.)
Dampfdichte	5.9 (NTP, 1992) - Heavier than airwill sink (Relative to Air)5.9 (vs air)
Dampfdruck	2 mmHg at 284 °F (NTP, 1992)2 mm Hg ( 140 °C)
Physical Description	Gold to tan crystals or brown solid. (NTP, 1992)Solid with a sweetish odormp = 36.7 deg C[Merck Index] Gold to tan or brown solid[CAMEO] Light yellow solidmp = 36-38 deg C[Sigma-Aldrich MSDS]
Kovats Retention Index	1669167016981686285.817001691.221696.331689.8290.25284.73287.61288.54288.56288.7
Selbstentzündungstemperatur	356 °F (NTP, 1992)
Brechungsindex	1.613-1.615
Aggregatzustand	powder to lump
Farbe	White to Yellow to Green
Merck	14,6591
Henry-Konstante	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	86-00-0(CAS DataBase Reference)
NIST chemische Informationen	1,1'-Biphenyl, 2-nitro-(86-00-0)
EPA chemische Informationen	o-Nitrobiphenyl (86-00-0)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]H351 (97.5%): Suspected of causing cancer [Warning Carcinogenicity]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.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.
Brandgefahren	This compound is combustible. (NTP, 1992)
Gefahrenübersicht	Causes coma, dyspnea, and weight loss in oral lethal-dose studies of rats and rabbits[RTECS] May cause irritationHarmful by ingestion, inhalation, and skin absorptionSuspected carcinogen[Sigma-Aldrich MSDS] See 4-Nitrobiphenyl.
Reaktive Gruppe	Hydrocarbons, AromaticNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile	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 Reactions	Insoluble in water.
Hazard Classes and Categories	Acute Tox. 4 (100%)Acute Tox. 4 (97.5%)Carc. 2 (97.5%)
Brandbekämpfung	Fires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste Hilfe	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.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Freisetung ohne Brand	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.STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Personal Protective Equipment (PPE)	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)
Wassergefährdungsklasse (WGK)	3
Zollcode	2904.20.5000
RTECS-Nr.	DV5530000
R-Sätze (R)	20/21/22-40-68-22
Gefahrensymbole	Xn
Sicherheitshinweise (S)	2-7-36-45-36/37

Anwendungen & Verwendung

Verwenden

2-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.