Nitro-p-xylene

HCID 6974CAS 89-58-7

Basic information

Standard SMILES
Cc1ccc(C)c([N+](=O)[O-])c1
InChIKey
BSFHJMGROOFSRA-UHFFFAOYSA-N
Molecular formula
C8H9NO2
Average molar mass
151.16 g/mol
Monoisotopic mass
151.06332853

Names & identifiers

Preferred name
Nitro-p-xylene
IUPAC
1,4-dimethyl-2-nitrobenzene
English name
2,5-Dimethylnitrobenzene
Molecular formula
C8H9NO2
Molecular weight
151.16

Names & synonyms

1,4-DIMETHYL-2-NITROBENZENE89-58-72,5-Dimethylnitrobenzene2-Nitro-p-xyleneNitro-p-xyleneBenzene, 1,4-dimethyl-2-nitro-p-Xylene, 2-nitro-2,5-Dimethyl-1-nitrobenzene2-Nitro-1,4-dimethylbenzeneNSC 55911-Nitro-2,5-dimethylbenzeneCCRIS 3122
Show more names
Nitro-o-xylene1,4-DimethyLp-Nitroxylene.2-nitro-p-xylen-2-nitrobenzene2-NITRO-4-XYLENE
DTXSID2025137EINECS 201-920-7AI3-23208H2AU67681FNSC-5591DTXCID4051371,4-DIMETHYLNITROBENZENEEC 201-920-7

Database identifiers

CAS
89-58-7
PubChem CID
6974
DTXSID
DTXSID2025137
ChEMBL
CHEMBL1527339
UNII
H2AU67681F
EC Number
201-920-7
Nikkaji
J95.097A

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Density1.132 at 59 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Flash Pointgreater than 200 °F (NTP, 1992)
Boiling Point464 to 466 °F at 760 mmHg (NTP, 1992)
Physical Description1,4-dimethyl-2-nitrobenzene is a clear pale yellow to amber liquid. (NTP, 1992)

Physicochemical properties

Melting point
-25 °C · -25°C
Boiling point
121 °C · 121°C 13mm
Density
1.13 · 1.13
refractive index
1.54 · 1.5400-1.5440
Flash point
104 ℃ · 104℃
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302+H312+H332 (97.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (97.2%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (97.2%): Harmful if inhaled [Warning Acute toxicity, inhalation];H411 (97.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 107 reports by companies from 4 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.

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 05-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10048
DOT LabelPoison
Fire HazardsThis compound is probably combustible. (NTP, 1992)
Health Hazards · 1 item

SYMPTOMS: Similar chemicals cause methemoglobinemia resulting in cyanosis. This type of compound may cause irritation of the eyes, skin, mucous membranes and upper respiratory tract.;ACUTE/CHRONIC HAZARDS: This type of compound may be fatal if inhaled, swallowed or absorbed through the skin. Vapor or mist may be irritating to the eyes, skin, mucous membranes and upper respiratory tract. When heated to decomposition this type of compound may emit toxic fumes of carbon monoxide, carbon dioxide and oxides of nitrogen. (NTP, 1992)

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile1,4-DIMETHYL-2-NITROBENZENE is incompatible with strong oxidizers and strong bases (NTP, 1992).

Safety & protection

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

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 area; take 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 used; if 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)

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed 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 under ambient temperatures. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

Isolation and Evacuation · 1 item

Excerpt 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 directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 item

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)

Regulatory information

Regulatory InformationStatus: Cease Manufacture Update: 05-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10048

Safety data

tsca
TSCA listed
rtecs
ZE4686600
ridadr
1665
hs_code
29042090
Toxicity
LD50 orl-rat: 2440 mg/kg 85JCAE -,420,86
risk_code
36/37-39/23/24/25

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,4-dimethyl-2-nitro-: ACTIVE

Applications

General DescriptionClear pale yellow to amber liquid.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
环生美森医药技术(山东)有限公司0531-88762217 18301471076 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

8 records

Linked notes

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