4-Methyl-2-nitroaniline

HCID 6978CAS 89-62-3

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

4-Methyl-2-nitroaniline89-62-32-NITRO-P-TOLUIDINE4-Amino-3-nitrotoluene3-Nitro-4-aminotoluene2-Nitro-4-methylanilineFast Red GL4-Methyl-2-nitrobenzenamine4-Methyl-6-nitroanilineBenzenamine, 4-methyl-2-nitro-Red Base NGLFast Red Base GL
名称をさらに表示
Fast Red GL BaseAzoamine Red AAzobase NATFast Red 3NT Base1-Amino-2-nitro-4-methylbenzeneDevol Red GFast Red G BaseLake Red G Base

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

実験および物理化学的性質

Density1.164 at 250 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Flash Point · 2 件

315 °F (NTP, 1992)

315 °F

Melting Point243 °F (NTP, 1992)
Vapor Density5.25 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure0.000972 [mmHg]

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 · 6 件

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 · 2 件

Chemical: Benzenamine, 4-methyl-2-nitro-

Status: Active Update: 15-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5546

DOT LabelPoison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health Hazards · 1 件

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)

Hazards SummaryA skin, eye, and respiratory tract irritant; [CAMEO] Toxic by ingestion; May be harmful if absorbed through skin or inhaled; May cause methemoglobinemia; Stable under recommended storage conditions. [MSDSonline]
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic;Amines, Aromatic

安全と保護具

Fire FightingFires involving this chemical can be controlled using a dry chemical, carbon dioxide, or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First Aid · 1 件

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 件

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 · 1 件

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) · 1 件

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

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

法規制情報

Regulatory Information · 2 件

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

化学と産業

用途と製造

UsesUsed as intermediate for dyes and pigments; [Hawley]
General Manufacturing InformationBenzenamine, 4-methyl-2-nitro-: ACTIVE

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関連反応

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