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2-ニトロビフェニル

2-Nitrobiphenyl

HCID 6829
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
86-00-0
標準SMILES
O=[N+]([O-])c1ccccc1-c1ccccc1
InChIKey
YOJKKXRJMXIKSR-UHFFFAOYSA-N
分子式
C12H9NO2
平均分子量
199.2 g/mol
単同位体質量
199.06332853

概要

Gold to tan crystals or brown solid. (NTP, 1992)

名称と識別子

優先名称
2-Nitrobiphenyl
IUPAC
1-nitro-2-phenylbenzene
現地名
2-ニトロビフェニル
英語名
2-Nitrobiphenyl
分子式
C12H9NO2
分子量
199.21

名称と別名

2-Nitrobiphenyl2-Nitrodiphenyl2-Nitro-1,1'-biphenylO-NITROBIPHENYL2'-NitrobiphenylCCRIS 962CP 368oNitrodiphenylDTXSID9025746Biphenyl, 2nitroNSC 55322Phenylnitrobenzene
名称をさらに表示
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2-ニトロ-1,1′-ビフェニル2-フェニル-1-ニトロベンゼンOnbcp368Nitrodiphenyl2-NitrobiphneylO-NITRODIPHENYL2-nitro-bipheny
EINECS 201-646-8UNII-8R1N47E4DT8R1N47E4DTAI3-02563NSC-55321,1'Biphenyl, 2nitroO-NITROBIPHENYL [MI]DTXCID505746

データベース識別子

CAS
86-00-0
PubChem CID
6829
DTXSID
DTXSID9025746
ChEMBL
CHEMBL1391678
UNII
8R1N47E4DT
EC Number
201-646-8
Nikkaji
J3.892J

物性

構造計算による物性補完中

XLogP
3.7
極性表面積
45.8 Ų
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

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesSchoenflies notation
Density1.203 at 77 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Flash Point290 °F (NTP, 1992)
Boiling Point608 °F at 760 mmHg (NTP, 1992)
Melting Point97 to 100 °F (NTP, 1992)
Vapor Density5.9 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure2 mmHg at 284 °F (NTP, 1992)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 2 件

Gold to tan crystals or brown solid. (NTP, 1992)

Solid with a sweetish odor; mp = 36.7 deg C; [Merck Index] Gold to tan or brown solid; [CAMEO] Light yellow solid; mp = 36-38 deg C; [Sigma-Aldrich MSDS]

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

危険有害性情報

Fire HazardsThis compound is combustible. (NTP, 1992)
Hazards SummaryCauses coma, dyspnea, and weight loss in oral lethal-dose studies of rats and rabbits; [RTECS] May cause irritation; Harmful by ingestion, inhalation, and skin absorption; Suspected carcinogen; [Sigma-Aldrich MSDS] See 4-Nitrobiphenyl.
Reactive GroupHydrocarbons, Aromatic
Reactivity Profile · 1 件

Aromatic 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%)

安全と保護具

化学と産業

用途と製造

Uses · 2 件

Used as a plasticizer for resins, cellulose acetate and nitrate, and polystyrenes, as a fungicide for textiles, wood preservative, and dye intermediate; [Merck Index]

Applying Wood Preservatives [Category: Other]

応用分野 · 3 件

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.

調製方法

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.]

上流・下流製品情報

下流製品

2-アミノビフェニル2,7-ジブロモ-9,9'-スピロビ[9H-フルオレン]2,5-ジブロモ-1,1'-ビフェニルN-メチルビフェニル-2-アミン4'-iodo-2-nitro-1,1'-biphenyl

関連反応

22 件
反応記録を作成
HRID 7090 の反応式
HRID 7090反応物としてuspto-grants-2006_08
HRID 97899 の反応式
HRID 97899反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 179723 の反応式
HRID 179723反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 285225 の反応式
HRID 285225反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 289648 の反応式
HRID 289648反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 436615 の反応式
HRID 436615反応物としてuspto-grants-1977_02
HRID 436617 の反応式
HRID 436617反応物としてuspto-grants-1977_02
HRID 628213 の反応式
HRID 628213反応物としてuspto-grants-2016_04
1 / 3 ページ

化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
Autoignition Temperature356 °F (NTP, 1992)

物理化学的性質

融点
36 · 36-38 °C(lit.)
沸点
320 °C · 320 °C
比重(密度)
1.44 · 1.44
蒸気密度
5.9 · 5.9 (vs air)
蒸気圧
2 mm · 2 mm Hg ( 140 °C)
屈折率
1.613 · 1.613-1.615
闪点
230 °F · >230 °F
外見
powder to lump
色
White to Yellow to Green
水溶解度
不溶性
Merck
14 · 14,6591
Henry's Law Constant
1.6 · 1.6×101 mol/(m3Pa) at 25℃, Parnis et al. (2015)
InChI
InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
YOJKKXRJMXIKSR-UHFFFAOYSA-N
SMILES
C1(C2=CC=CC=C2)=CC=CC=C1[N+]([O-])=O
CAS データベース
86 · 86-00-0(CAS DataBase Reference)
NISTの化学物質情報
1 · 1,1'-Biphenyl, 2-nitro-(86-00-0)
EPAの化学物質情報
o-Nitrobiphenyl (86-00-0)

化学的性質

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

Fire Fighting
Fires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (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.

Nonfire Spill Response · 1 件

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.

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)

安全データ

wgk
3
rtecs
DV5530000
hs_code
2904.20.5000
risk_code
20/21/22-40-68-22
hazard_code
Xn
safety_code
2-7-36-45-36/37