基本情報
- 標準SMILES
Cc1ccc(N)c([N+](=O)[O-])c1- InChIKey
DLURHXYXQYMPLT-UHFFFAOYSA-N- 分子式
- C7H8N2O2
- 平均分子量
- 152.15 g/mol
- 単同位体質量
- 152.0585775
名称と識別子
- 優先名称
- 4-Methyl-2-nitroaniline
- IUPAC
- 4-methyl-2-nitroaniline
- 英語名
- 89-62-3
- 分子式
- C7H8N2O2
- 分子量
- 152.15
名称と別名
名称をさらに表示
データベース識別子
- CAS
89-62-3- PubChem CID
- 6978
- DTXSID
DTXSID2025632- ChEMBL
CHEMBL1496758- ChEBI
CHEBI:66920- UNII
- VA01LI60P4
- EC Number
- 201-924-9
- Nikkaji
- J95.093I
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 71.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 155
実験および物理化学的性質
Flash Point
315 °F (NTP, 1992)
315 °F
Physical Description
4-methyl-2-nitroaniline appears as red crystals or bright orange powder. (NTP, 1992)
Red to bright-orange solid; [CAMEO]
物理化学的性質
- 融点
- 116.3 °C · 116.3 °C
- 沸点
- 302.9 · 302.9±22.0 °C(Predicted)
- 比重(密度)
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 0.46 · 0.46±0.10(Predicted)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 157) of reports.
Danger
H301 (96.8%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (96.8%): Toxic in contact with skin [Danger Acute toxicity, dermal];H331 (96.8%): Toxic if inhaled [Danger Acute toxicity, inhalation];H373 (98.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H411 (98.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 157 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 157 reports by companies.;There are 9 notifications provided by 156 of 157 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.
危険有害性情報
Regulatory Information
Chemical: Benzenamine, 4-methyl-2-nitro-
Status: Active Update: 15-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5546
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include irritation of the eyes and skin.;ACUTE/CHRONIC HAZARDS: This compound may be harmful by inhalation, ingestion, or skin absorption. It produces toxic fumes of carbon monoxide, carbon dioxide, and nitrogen oxide on decomposition. (NTP, 1992)
安全と保護具
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)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol 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 alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate 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. (NTP, 1992)
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (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)
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)
毒性情報
法規制情報
Regulatory Information
Chemical: Benzenamine, 4-methyl-2-nitro-
Status: Active Update: 15-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5546
安全データ
- 注意喚起語
- 危険
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H373
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