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2,4,5-トリクロロニトロベンゼン

2,4,5-Trichloronitrobenzene

HCID 6983
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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
89-69-0
標準SMILES
O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl
InChIKey
IBRBMZRLVYKVRF-UHFFFAOYSA-N
分子式
C6H2Cl3NO2
平均分子量
226.4 g/mol
単同位体質量
224.91511134

概要

Prisms or needles in alcohol; yellow powder. (NTP, 1992)

名称と識別子

優先名称
2,4,5-Trichloronitrobenzene
IUPAC
1,2,4-trichloro-5-nitrobenzene
現地名
2,4,5-トリクロロニトロベンゼン
英語名
1,2,4-Trichloro-5-nitrobenzene
分子式
C6H2Cl3NO2
分子量
226.44

名称と別名

2,4,5-TRICHLORONITROBENZENE1,2,4-Trichloro-5-nitrobenzene89-69-0Benzene, 1,2,4-trichloro-5-nitro-1-Nitro-2,4,5-trichlorobenzene5-Nitro-1,2,4-trichlorobenzene2,4,5-trichloro-1-nitrobenzene3,4,6-TrichloronitrobenzeneMFCD00007072DTXSID50262030YFY8PZD2M1,4,5-Trichloro-2-nitrobenzene
名称をさらに表示
2,4,5-トリクロロニトロベンゼン1,2,4-トリクロロ-5-ニトロベンゼン2,4,5-トリクロロ-1-ニトロベンゼン1-ニトロ-2,4,5-トリクロロベンゼン1,2,4-トリクロロ-5-ニトロベンゼン 塩化物2,4,5-TrichloronitroBifeprunox Impurity 522,3-DICHLOROANISOLE PESTANAL1,2,4-trichloro-5-nitro-benzen
NSC-50660NSC-56980NSC-609752,5-TrichloronitrobenzeneWLN: WNR BG DG EG1,4-Trichloro-5-nitrobenzeneBenzene,2,4-trichloro-5-nitro-2,4,5-Trichloronitrobenzene- 13C6

データベース識別子

CAS
89-69-0
PubChem CID
6983
DTXSID
DTXSID5026203
ChEMBL
CHEMBL1323107
UNII
0YFY8PZD2M
EC Number
201-931-7
Nikkaji
J2.838J

物性

構造計算による物性補完中

XLogP
3.5
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
0
重原子数
12
形式電荷
0
複雑度
184

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesBoiling point
LogP3.48
Density1.79 at 73 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 61 °F (NTP, 1992)
Flash Pointgreater than 230 °F (NTP, 1992)
Boiling Point · 2 件

550 °F at 760 mmHg (NTP, 1992)

208 °C @760 [mm Hg]

Melting Point · 2 件

135 to 136 °F (NTP, 1992)

57 °C

Vapor Pressure0.000792 [mmHg]
Physical Description · 2 件

Prisms or needles in alcohol; yellow powder. (NTP, 1992)

Yellow solid; [CAMEO] Light yellow solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点
52 · 52-57 °C
沸点
288 °C · 288 °C
比重(密度)
1.79 · 1.79
屈折率
1.63 · 1.6300 (estimate)
闪点
170 °C · 170 °C
貯蔵温度
2 · 2-8°C
外見
powder to crystal
色
2 · EtOH または CS2 からのプリズム
水溶解度
27 mg/L · 27mg/L(20℃)
CAS データベース
89 · 89-69-0(CAS DataBase Reference)
NISTの化学物質情報
1 · Benzene, 1,2,4-trichloro-5-nitro-(89-69-0)
EPAの化学物質情報
2 · 2,4,5-Trichloronitrobenzene (89-69-0)

化学的性質

化学的特性white to light yellow crystal powder

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 · 5 件

This chemical does not meet GHS hazard criteria for 48.1% (37 of 77) of reports.

Danger

H301 (49.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationTP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
DOT LabelPoison
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Exposure to this compound may cause eye and skin irritation. Absorption into the body leads to the formation of methemoglobin which in sufficient concentration causes cyanosis.
Hazards Summary · 1 件

An irritant; May induce methemoglobinemia; [NTP] May cause irritation; May induce methemoglobinemia; Toxic by ingestion; Harmful by inhalation and skin absorption; [Sigma-Aldrich MSDS] See Pentachloronitrobenzene and 2,3,4,5-Tetrachloronitrobenzene.

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile2,4,5-TRICHLORONITROBENZENE is incompatible with strong bases and strong oxidizing agents. (NTP, 1992).
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (49.4%)

安全と保護具

Fire FightingFires 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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Protective Action Criteria (PAC) · 3 件

2.3 [mg/m3]

25 [mg/m3]

150 [mg/m3]

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

安全データ

tsca
TSCA listed
rtecs
DC2275000
ridadr
3077
毒性
LDLo orl-mus: 1070 mg/kg AECTCV 14,111,85
hs_code
29392900
risk_code
50/53-20/21/22
化審法
(3)-459
hazard_code
N-Xn,N,Xn
hazard_note
Harmful
safety_code
61-60-36/37-28-25
hazard_class
6.1(b)
packing_group
III
危険度評価(NFPA 704基準/消防庁データ)
人的[青]=1

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1,2,4-trichloro-5-nitro-: ACTIVE
応用分野 · 2 件

使用2,4,5-Trichloronitrobenzene, is one of the by-products of Lindane (L465990) production, that can be used for agricultural crop protection. It is also used as an intermediate for the synthesis of various chemical compounds, such as a new class of 1H-benzimidazolecarboxamidines, acting as antibacterial and antifungal agents.

一般的な説明Prisms or needles in alcohol; yellow powder.

調製方法

純化方法Crystallise it from EtOH. [Beilstein 5 IV 728.]

上流・下流製品情報

上流原料

1,2,4-トリクロロベンゼン (1mg/mlメタノール溶液) [水質分析用]

下流製品

1-クロロ-2,4-ジフルオロ-5-ニトロベンゼンペンタクロロニトロベンゼン2,3,4,5-テトラクロロニトロベンゼン4,5-ジクロロ-2-ニトロアニリン2,4,5-トリクロロアニリン

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