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HCID 6991Erstellt: 26. Oktober 2026

4-Nitro-m-xylol

2,4-DIMETHYLNITROBENZENE · 2,4-DIMETHYL-1-NITROBENZENE · 4-NITRO-M-XYLENE · Nitromxylene · m-Nitroxylene · 4-Nitro-m-xylol · 2,4-Nitroxylene · m-xylene,4-nitro-

https://huagongshe.com/de/chemical/6991

Molekülstruktur von 4-Nitro-m-xylol

Identifikatoren & physikalische Daten

CAS No.89-87-2
SummenformelC8H9NO2
Durchschnittliche Molmasse151,16 g/mol
Monoisotopische Masse151,06332853 g/mol
SMILESCc1ccc([N+](=O)[O-])c(C)c1
InChIKeyBBUPBICWUURTNP-UHFFFAOYSA-N
PubChem CID6991
ChEMBLCHEMBL3182934
EC No.201-947-4
DTXSIDDTXSID2025135
Lokaler Name4-Nitro-m-xylol

Chemische & physikalische Eigenschaften

XLogP2,7
Polarare Oberfläche (TPSA)45,8
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen0
Schwere Atome11
Formalladung0
Komplexität153
SpringerMaterials PropertiesBoiling point
Dichte1.135 at 59 °F (NTP, 1992) - Denser than waterwill sink1.117 g/mL at 25 °C(lit.)
Löslichkeitless than 1 mg/mL at 70 °F (NTP, 1992)133 mg/L (20 ºC)
Flammpunkt225 °F (NTP, 1992)
Siedepunkt459 to 462 °F at 760 mmHg (NTP, 1992)244 °C(lit.)
Schmelzpunkt36 °F (NTP, 1992)7-9 °C(lit.)
Dampfdruck1 mmHg at 150.1 °F760 mmHg at 471.2 °F (NTP, 1992)
Physical Description1,3-dimethyl-4-nitrobenzene is a light yellow to amber liquid. (NTP, 1992)
Brechungsindexn20/D 1.549(lit.)
LagerbedingungenStore below +30°C.
AggregatzustandLiquid
FarbeClear yellow
BRN1865656
Henry-Konstante3.9×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
StabilitätStable. Incompatible with strong bases, strong oxidizing agents.
InChI1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3
InChIKeyBBUPBICWUURTNP-UHFFFAOYSA-N
SMILESCc1ccc(c(C)c1)[N+]([O-])=O
CAS Datenbank89-87-2(CAS DataBase Reference)
NIST chemische InformationenBenzene, 2,4-dimethyl-1-nitro-(89-87-2)
EPA chemische Informationen4-Nitro-m-xylene (89-87-2)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (98.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 149 reports by companies from 4 notifications to the ECHA C&L Inventory.
Regulatorische InformationenStatus: Cease Manufacture Update: 14-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/12516
DOT-KennzeichnungPoison
BrandgefahrenThis chemical is combustible. (NTP, 1992)
GesundheitsgefahrenSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eye, mucous membrane and upper respiratory tract and cyanosis. Similar chemicals cause methemoglobinemia.
Reaktive GruppeNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile1,3-DIMETHYL-4-NITROBENZENE is incompatible with strong oxidizing agents and strong bases (NTP, 1992).
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (98.7%)
BrandbekämpfungFires involving this material can be controlled with a dry chemical, carbon dioxide, or Halon extinguisher. A water spray may also be used. (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.
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 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.
Isolation and EvacuationExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
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)2
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 1665 6.1/PG 2
Zollcode29042000
R-Sätze (R)22-20/21/22-36/37/38-23/24/25
GefahrensymboleXn,T
Sicherheitshinweise (S)36/37-45-36/37/39-26-13
Gefahrenklasse6.1Acute Tox. 4 OralAquatic Chronic 2
VerpackungsgruppeII
Lagerklasse6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials