2,4,5-Trichloronitrobenzene (HCID 6983)

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

XLogP: 3.5
極性表面積: 45.8 Å²
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)

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

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

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

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.