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HCID 7440Erstellt: 25. Oktober 2026

4-Nitro-o-xylol

3,4-DIMETHYLNITROBENZENE · 3,4-Dimethyl-1-nitrobenzene · 4-Nitroxylene · 4-nitro-o-xylen · 4-Nitro-o-xylol · p-Nitro-o-xylene · 4-NITRO-O-XYLENE · 4-Nitro-2-xylene

https://huagongshe.com/de/chemical/7440

Molekülstruktur von 4-Nitro-o-xylol

Identifikatoren & physikalische Daten

CAS No.99-51-4
SummenformelC8H9NO2
Durchschnittliche Molmasse151,16 g/mol
Monoisotopische Masse151,06332853 g/mol
SMILESCc1ccc([N+](=O)[O-])cc1C
InChIKeyHFZKOYWDLDYELC-UHFFFAOYSA-N
PubChem CID7440
ChEMBLCHEMBL1413373
EC No.202-761-6
DTXSIDDTXSID2025133
Lokaler Name4-Nitro-o-xylol

Chemische & physikalische Eigenschaften

XLogP2,9
Polarare Oberfläche (TPSA)45,8
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen0
Schwere Atome11
Formalladung0
Komplexität153
Dichte1.117 (NTP, 1992) - Denser than waterwill sink1.139 g/mL at 25 °C(lit.)
Color/FormYELLOW PRISMS FROM ALCOHOLCRYSTALLINE NEEDLESYELLOW LIQ /2,4- & 2,5-ISOMERS/
Löslichkeit1 to 5 mg/mL at 59 °F (NTP, 1992)INSOL IN WATERSLIGHTLY SOL IN HOT ALCOHOLSOL IN ETHER /NITROXYLENE/0.1g/l100 mg/L (25 ºC)
Flammpunkt225 °F (NTP, 1992)107 °C>230 °F
Siedepunkt489 °F at 748 mmHg (NTP, 1992)254 °C @ 760 MM HG255 °C
Schmelzpunkt86 to 88 °F (NTP, 1992)30-31 °C29 °C
Physical Description1,2-dimethyl-4-nitrobenzene appears as yellow prisms or yellow crystalline solid. (NTP, 1992)LiquidYellow solid[HSDB]
Kovats Retention Index1283.4
Other Experimental PropertiesSPECIFIC GRAVITY: 1.135MP: 2 °CBP: 246 °C /NITROXYLENE/
Dampfdruck21.73Pa at 25℃
Brechungsindex1.555-1.557
LagerbedingungenStore below +30°C.
AggregatzustandLiquid
FarbeWhite or Colorless to Yellow
BRN2043245
Henry-Konstante3.9×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
StabilitätStable. Combustible. Incompatible with strong oxidizing agents.
InChI1S/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3
InChIKeyHFZKOYWDLDYELC-UHFFFAOYSA-N
SMILESCc1ccc(cc1C)[N+]([O-])=O
LogP (Verteilungskoeffizient)-0.154 at 32℃ and pH6.13
CAS Datenbank99-51-4(CAS DataBase Reference)
NIST chemische InformationenBenzene, 1,2-dimethyl-4-nitro-(99-51-4)
EPA chemische Informationen4-Nitro-o-xylene (99-51-4)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 69.8% (104 of 149) of all reports.WarningH302 (29.5%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (28.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (28.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 149 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 104 of 149 reports by companies.There are 4 notifications provided by 45 of 149 reports by companies with hazard statement code(s).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.
Regulatorische InformationenBenzene, 1,2-dimethyl-4-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,2-dimethyl-4-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: Cease Manufacture Update: 19-07-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11082
DOT-KennzeichnungPoison
BrandgefahrenThis chemical is combustible. (NTP, 1992)
GesundheitsgefahrenSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.ACUTE/CHRONIC HAZARDS: This compound is an irritant of the skin, eyes and mucous membranes. (NTP, 1992)
GefahrenübersichtVery toxic by inhalation, ingestion, and skin absorptionEmergency treatment: NitrobenzeneNitrobenzene causes skin irritationIt is toxic by all routes causing methemoglobinemia and liver injuryEstimated lethal dose in adults is 1-5 grams[HSDB] A skin, eye, and mucous membrane irritant[CAMEO] An irritant[MSDSonline]
Reaktive GruppeNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile1,2-DIMETHYL-4-NITROBENZENE is incompatible with strong oxidizers and strong bases.
Air and Water ReactionsSlightly soluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (29.5%)Acute Tox. 4 (28.9%)
BrandbekämpfungFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste HilfeEYES: 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 BrandSMALL 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 ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 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 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. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
Isolation and EvacuationExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
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)
Unerwünschte WirkungenOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
Human Toxicity ExcerptsHAZARD: HIGHLY TOXIC BY INGESTION, INHALATION & SKIN ABSORPTION. /NITROXYLENE/
Wassergefährdungsklasse (WGK)2
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 3447 6.1/PG 2
Zollcode29042000
R-Sätze (R)20/21/22-36/37/38-23/24/25
GefahrensymboleXn,T
Sicherheitshinweise (S)22-36/37-45-36/37/39-26-13
Gefahrenklasse6.1Acute Tox. 4 Oral
VerpackungsgruppeII
Lagerklasse6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Gefahrstoffdaten99-51-4(Hazardous Substances Data)