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4-Nitro-o-xylene

4-Nitro-o-xylene structure

CAS No:
99-51-4
Formula:
C8H9NO2
Chemical Name:
4-Nitro-o-xylene
Synonyms:
Benzene,1,2-dimethyl-4-nitro-;o-Xylene,4-nitro-;1,2-Dimethyl-4-nitrobenzene;4-Nitro-1,2-dimethylbenzene;3,4-Dimethyl-1-nitrobenzene;4-Nitro-o-xylene;NSC 66555
Categories:
Chemical Reagents > Organic Reagents

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Description

yellow crystalline solid

1,2-dimethyl-4-nitrobenzene appears as yellow prisms or yellow crystalline solid. (NTP, 1992)|Liquid

1,2-dimethyl-4-nitrobenzene appears as yellow prisms or yellow crystalline solid. (NTP, 1992)

4-Nitro-o-xylene Basic Attributes

Molecular Weight：

151.16

Exact Mass：

151.16

BRN：

2043245

EC Number：

202-761-6

UNII：

FI6475010K

NSC Number：

66555

UN Number：

1665

DSSTox ID：

DTXSID2025133

Color/Form：

YELLOW PRISMS FROM ALCOHOL|CRYSTALLINE NEEDLES|YELLOW LIQ /2,4- & 2,5-ISOMERS/

HScode：

2904209090

Characteristics

PSA：

45.8

XLogP3：

2.87

Appearance：

1,2-dimethyl-4-nitrobenzene appears as yellow prisms or yellow crystalline solid. (NTP, 1992)

Density：

1.117 (NTP, 1992)

Melting Point：

30-31 °C

Boiling Point：

254 °C @ Press: 760 Torr

Flash Point：

>230 °F

Refractive Index：

1.547

Water Solubility：

H2O: 100 mg/L (25 ºC)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.00 mmHg

Experimental Properties：

SPECIFIC GRAVITY: 1.135; MP: 2 °C; BP: 246 °C /NITROXYLENE/

Air and Water Reactions：

Slightly soluble in water.

Reactive Group：

Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Reactivity Profile：

1,2-DIMETHYL-4-NITROBENZENE is incompatible with strong oxidizers and strong bases.

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 3447 6.1/PG 2

wgk germany：

hazard class code：

20/21/22-36/37/38-23/24/25

safety instructions：

22-36/37-45-36/37/39-26-13

Marks：

Xn,T

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

RIDADR：

UN 3447

Fire Hazards：

This chemical is combustible. (NTP, 1992)

GHS Classification：

|Warning|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fire Fighting：

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Isolation and Evacuation：

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: As an 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, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck 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, 2016)

Nonfire Spill Response：

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 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)

Personal Protective Equipment：

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)

Drug Information

Health Hazards：

SYMPTOMS: 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)

First Aid：

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)

Human Toxicity Excerpts：

HAZARD: HIGHLY TOXIC BY INGESTION, INHALATION & SKIN ABSORPTION. /NITROXYLENE/

MeSH Entry Terms：

1,2-dimethyl-4-nitrobenzene

4-Nitro-o-xylene Use and Manufacturing

Methods of Manufacturing

BY NITRATING XYLENE & SEAARATING FROM RESULTING MIXT BY RECTIFICATION. /NITROXYLENE/

Uses

Used as a pharmaceutical intermediate; an important raw material for the production of vitamin B2 by chemical synthesis

Intermediates

Manufacturing Info：

Pesticide, fertilizer, and other agricultural chemical manufacturing|Benzene, 1,2-dimethyl-4-nitro-: ACTIVE|THERE ARE 3 ISOMERS (2,4-; 3,4-; & 2,5-). /NITROXYLENE/

Analytic Methods：

PURE ISOMERS WERE USED AS STANDARDS. CHROMATOGRAPHY WITH A FLAME-IONIZATION DETECTOR WAS USED.

Computed Properties

Molecular Weight:151.16
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Exact Mass:151.063328530
Monoisotopic Mass:151.063328530
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

29510-54-1

108-24-7

Recommended Suppliers of 4-Nitro-o-xylene

Suqian City Hengliyuan Import and Export Trade Co., LTD Contact Supplier

CN
3 YRS

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Factory supplier 4-Nitro-o-xylene cas 99-51-4 with fast delivery

Unit Price: $101 /MT FOB

CAS No.: 99-51-4

Grade: Pharmaceutical Grade

Content: 99.5%

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