3,4,5-トリクロロニトロベンゼン

3,4,5-Trichloronitrobenzene

HCID 88365

基本情報

CAS
20098-48-0
標準SMILES
O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1
InChIKey
HHLCSFGOTLUREE-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

3,4,5-trichloronitrobenzene appears as pale-yellow crystals or yellow crystalline solid. (NTP, 1992)

名称と識別子

優先名称
3,4,5-Trichloronitrobenzene
IUPAC
1,2,3-trichloro-5-nitrobenzene
現地名
3,4,5-トリクロロニトロベンゼン
英語名
3,4,5-Trichloronitrobenzene
分子式
C6H2Cl3NO2
分子量
226.44

名称と別名

3,4,5-Trichloronitrobenzene1,2,3-Trichloro-5-nitrobenzene20098-48-0Benzene, 1,2,3-trichloro-5-nitro-DTXSID50262053,4,5-trichloro-1-nitrobenzeneEINECS 243-511-6UNII-AH0CU8672KAH0CU8672KNSC-523881DTXCID006205NSC 523881
名称をさらに表示
3,4,5-トリクロロニトロベンゼン3,4,5-トリクロロ-1-ニトロベンゼン5-ニトロ-1,2,3-トリクロロベンゼン1,2,3-トリクロロ-5-ニトロベンゼン1,2,3-トリクロロ-5-ニトロベンゼン, 97%Anagrelide Impurity 113,4,5-Trichlornitrobenzol3,4,5-DICHLORONITROBENZENE1,2,3-TRICHLORO-5-NITROBENZNE5-NITRO-1,2,3-TRICHLOROBENZENEBenzene,1,2,3-trichloro-5-nitro-1,2,3-Trichloro-5-nitrobenzene,98%
TRICHLORONITROBENZENE, 3,4,5-RefChem:90910BENZENE, 1,2,3-TRICHLORO-5-NITROHHLCSFGOTLUREE-UHFFFAOYSA-NInChI=1/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2MFCD00061096Anagrelide Impurity 151,2,3-trichloro-5-nitro-benzene

データベース識別子

CAS
20098-48-0
PubChem CID
88365
DTXSID
DTXSID5026205
ChEMBL
CHEMBL1443813
UNII
AH0CU8672K
EC Number
243-511-6
Nikkaji
J141.356B

物性

構造計算による物性

XLogP
3.9
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

実験および物理化学的性質

SpringerMaterials PropertiesCrystal structure
Density1.807 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 59 °F (NTP, 1992)
Melting Point162.5 °F (NTP, 1992)
Physical Description3,4,5-trichloronitrobenzene appears as pale-yellow crystals or yellow crystalline solid. (NTP, 1992)

物理化学的性質

融点
68 · 68-71 °C (lit.)
沸点
288 °C · 288°C (rough estimate)
比重(密度)
1.807 · 1.8070
屈折率
1.63 · 1.6300 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
クロロホルム(微量)、メタノール(微量)

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 44.6% (37 of 83) of reports.

Warning

H302 (54.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 83 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

DOT LabelPoison
Fire HazardsFlash point data for this compound are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Exposure to this type of compound may cause eye and skin irritation. Absorption into the body leads to formation of methemoglobin which in sufficient concentration causes cyanosis.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity ProfileThis type of compound is incompatible with strong bases and strong oxidizing agents. (NTP, 1992).
Air and Water ReactionsInsoluble in water.

安全と保護具

Fire FightingFires involving this material can be controlled with 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 you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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)]:
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
ridadr
2811
hs_code
29049090
risk_code
20/21/22-36/37/38
化審法
(3)-459
hazard_code
Xn

化学と産業

応用分野

用途有機合成原料。

一般的な説明Pale-yellow crystals or yellow crystalline solid.

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

関連反応

89 件

化合物ノート

読み込み中…