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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 6829作成日：2026年10月27日

2-ニトロビフェニル

2-ニトロビフェニル · ニトロビフェニル · o-ニトロジフェニル · 2-ニトロジフェニル · 2-ニトロ-1,1'-ビフェニル · 2-ニトロビフェニル標準品 · 2‐ニトロビフェニル · 2‐ニトロビフェニル標準品

https://huagongshe.com/ja/chemical/6829

2-ニトロビフェニル の分子構造式

識別子と物理属性

CAS No.86-00-0
分子式C12H9NO2
平均分子量199.2 g/mol
単同位体質量199.06332853 g/mol
SMILESO=[N+]([O-])c1ccccc1-c1ccccc1
InChIKeyYOJKKXRJMXIKSR-UHFFFAOYSA-N
PubChem CID6829
ChEMBLCHEMBL1391678
EC No.201-646-8
DTXSIDDTXSID9025746
現地名2-ニトロビフェニル

化学・物理的性質

XLogP3.7
極性表面積45.8
水素結合供与体数0
水素結合受容体数2
回転可能結合数1
重原子数15
形式電荷0
複雑度218
密度1.203 at 77 °F (NTP, 1992) - Denser than waterwill sink1.44
溶解度less than 1 mg/mL at 72 °F (NTP, 1992)不溶性
引火点290 °F (NTP, 1992)>230 °F
沸点608 °F at 760 mmHg (NTP, 1992)320 °C
融点97 to 100 °F (NTP, 1992)36-38 °C(lit.)
蒸気密度5.9 (NTP, 1992) - Heavier than airwill sink (Relative to Air)5.9 (vs air)
蒸気圧2 mmHg at 284 °F (NTP, 1992)2 mm Hg ( 140 °C)
Physical DescriptionGold to tan crystals or brown solid. (NTP, 1992)Solid with a sweetish odormp = 36.7 deg C[Merck Index] Gold to tan or brown solid[CAMEO] Light yellow solidmp = 36-38 deg C[Sigma-Aldrich MSDS]
Kovats Retention Index1669167016981686285.817001691.221696.331689.8290.25284.73287.61288.54288.56288.7
自然発火温度356 °F (NTP, 1992)
屈折率1.613-1.615
外観・状態powder to lump
色White to Yellow to Green
Merck14,6591
ヘンリー定数1.6×101 mol/(m3Pa) at 25℃, Parnis et al. (2015)
InChIInChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKeyYOJKKXRJMXIKSR-UHFFFAOYSA-N
SMILESC1(C2=CC=CC=C2)=CC=CC=C1[N+]([O-])=O
CAS データベース86-00-0(CAS DataBase Reference)
NISTの化学物質情報1,1'-Biphenyl, 2-nitro-(86-00-0)
EPAの化学物質情報o-Nitrobiphenyl (86-00-0)

化学的特性

Clear yellow liquid after melting. Insoluble in water, soluble in methanol, ethanol, acetone, dimethylformamide, and tetrahydrofurfuryl alcohol.

安全性と法規制

GHS 分類WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]H351 (97.5%): Suspected of causing cancer [Warning Carcinogenicity]P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 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.
火災危険This compound is combustible. (NTP, 1992)
有害性の概要Causes coma, dyspnea, and weight loss in oral lethal-dose studies of rats and rabbits[RTECS] May cause irritationHarmful by ingestion, inhalation, and skin absorptionSuspected carcinogen[Sigma-Aldrich MSDS] See 4-Nitrobiphenyl.
反応性グループHydrocarbons, AromaticNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity ProfileAromatic nitro compounds, such as 2-NITRO-1,1'-BIPHENYL, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Acute Tox. 4 (97.5%)Carc. 2 (97.5%)

用途

用途

有機合成原料。合成樹脂可塑剤。

使用

2-Nitrobiphenyl is used as a plasticizer for resins, cellulose acetate, cellulose nitrate, and polystyrenes; as a fungicide for textiles; as a wood preservative; and as a dye intermediate.

一般的な説明

Gold to tan crystals or brown solid.

製法・合成法

純化方法

Crystallise it from EtOH (seeding required). Sublime it under vacuum. [Beilstein 5 H 582, 5 I 273, 5 II 487, 5 III 1750.]

消火Fires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
応急処置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 areatake 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 usedif 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)
非火災時の漏出対応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 material in a refrigerator. (NTP, 1992)
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)
水環境危害等級（WGK）3
RTECS 番号DV5530000
税関コード2904.20.5000
危険文句（R）20/21/22-40-68-22
危険表示Xn
安全措置（S）2-7-36-45-36/37