English Safety Data Sheet Database 中文版 MSDS

1-Iodo-3-nitrobenzene

CAS No. 645-00-1 | PubChem CID 12574
Section 1. Identification
Chemical Name1-Iodo-3-nitrobenzene CAS No.645-00-1
Synonymsm-nitroiodobenzene; 3-iodonitrobenzene Chinese Name1-碘-3-硝基苯
Molecular FormulaC6H4INO2 Molecular Weight249.0059
UN No.2811 Data SourcePubChem (NIH/NLM)
GHS Hazard Classification
Signal Word DANGER
Pictograms GHS02 · Flammable GHS07 · Irritant
Hazard Statements H228H302H312H315H319H332H335
Precautionary Statements P210P240P241P261P264P264+P265P270P271P280P301+P317P302+P352P304+P340P305+P351+P338P317P319P321P330P332+P317P337+P317P362+P364P370+P378P403+P233P405P501

Section 2. Hazards Identification

H228 (89.1%): Flammable solid [Danger Flammable solids]

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]

H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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.

Section 4. First-Aid Measures

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: 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)

Section 5. Fire-Fighting Measures

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)

Section 6. Accidental Release Measures

Excerpt from ERG Guide 133 [Flammable Solids]:

IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 25 meters (75 feet) in all directions.

LARGE SPILL: Consider initial downwind evacuation for at least 100 meters (330 feet).

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)

Section 7. Handling and Storage

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 chemical under ambient temperatures, and keep it away from oxidizing materials. (NTP, 1992)

Section 8. Exposure Controls / Personal Protection

RECOMMENDED RESPIRATOR: Where the neat test chemical is stored, weighed and diluted, wear an 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)

Section 9. Physical and Chemical Properties

Monoclinic prisms or tan solid. (NTP, 1992)

Prisms or tan solid; mp = 36-38 deg C; [CAMEO]

536 °F at 760 mmHg (NTP, 1992)

97 to 100 °F (NTP, 1992)

161 °F (NTP, 1992)

less than 1 mg/mL at 66 °F (NTP, 1992)

1.9477 at 122 °F (NTP, 1992) - Denser than water; will sink

0.00174 [mmHg]

13C nuclear magnetic resonance spectrum

Schoenflies notation

Chemical bond

Chemical shift

Diamagnetic susceptibility

Internuclear distance

Magnetic susceptibility

Molecular structure

Nuclear quadrupole resonance spectroscopy

Point group

Quadrupole coupling

Spin-spin coupling constant

Surface tension

Nitrogen Compounds -> Nitros, Aromatic

Section 10. Stability and Reactivity

Insoluble in water.

Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Aryl Halides

1-IODO-3-NITROBENZENE is incompatible with strong bases and strong oxidizers. (NTP, 1992)

Section 11. Toxicological Information

Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Section 14. Transport Information

Flammable Solid

Source: PubChem CID 12574 (NIH/NLM, public domain). Retrieved from PubChem, a public-domain chemistry database maintained by the U.S. National Library of Medicine. Last updated: 2026-08-02 09:35:09.
Disclaimer: This information is compiled for reference only and does not replace the manufacturer's official Safety Data Sheet. Always consult the supplier's SDS before handling any chemical.