4-Chloro-1,2-dinitrobenzene (HCID 33097)

名称と識別子

優先名称: 4-Chloro-1,2-dinitrobenzene
IUPAC: 4-chloro-1,2-dinitrobenzene
現地名: 3,4-ジニトロクロロベンゼン
英語名: 3,4-Dinitrochlorobenzene
分子式: C6H3ClN2O4
分子量: 202.55

名称と別名

610-40-24-Chloro-1,2-dinitrobenzene1-Chloro-3,4-dinitrobenzeneBenzene, 4-chloro-1,2-dinitro-Z29B1F274E1,2-dinitro-4-chlorobenzeneEINECS 210-223-7NSC 119343NSC-119343DTXSID3060586RefChem:520704DTXCID7042932

名称をさらに表示

3,4-ジニトロクロロベンゼン1-クロロ-3,4-ジニトロベンゼン1,2-ジニトロ-4-クロロベンゼン4-クロロ-1,2-ジニトロベンゼンBendamustine Impurity 544-Chloro-1,2-dinitrobenzen3,4-Dinitrochlorobenzene>1-CHLORO-3,4-DINITROBENZENE1,2-Dinitro-5-chlorobenzene1-Chloro-3,4-dinitrobenzene, 92%+

210-223-73,4-DinitrochlorobenzeneMFCD000072124-chloro-1,2-dinitro-benzene1-Chloro-3.4-dinitrobenzeneSCHEMBL1524058AKOS015889665Q2651784

データベース識別子

CAS: 610-40-2
PubChem CID: 33097
DTXSID: DTXSID3060586
UNII: Z29B1F274E
EC Number: 210-223-7
Nikkaji: J95.614G

物性

構造計算による物性

XLogP: 2.2
極性表面積: 91.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 224

実験および物理化学的性質

DensityRelative density (water = 1): 1.687

Flash Point>110 °C

Decomposition315 °C

Melting Point40-41 °C

Physical DescriptionYELLOW CRYSTALS.

Kovats Retention Index1546.8

物理化学的性質

融点: 40 · 40-41 °C
沸点: 16 °C · 16 °C (4 mmHg)
比重(密度): 1.687 g/mL · 1.687 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.587(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 0 · 0-10°C
外見: 溶けた後の油状の液体
色: 黄褐色
水溶解度: 不溶性
BRN: 521564 · 521564
CAS データベース: 610 · 610-40-2(CAS DataBase Reference)
NISTの化学物質情報: 4 · Benzene, 4-chloro-1,2-dinitro-(610-40-2)
EPAの化学物質情報: 4 · Benzene, 4-chloro-1,2-dinitro- (610-40-2)

化学的性質

化学的特性YELLOW-BROWN OILY LIQUID AFTER MELTING

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (97.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H331 (91.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H373 (97.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (97.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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.

危険有害性情報

Regulatory InformationBenzene, 4-chloro-1,2-dinitro-: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.

EC ClassificationSymbol: T, N; R: 23/24/25-33-50/53; S: (1/2)-28-36/37-45-60-61; Note: C

UN ClassificationUN Hazard Class: 6.1; UN Pack Group: II

Chemical DangersDecomposes on heating. This produces toxic and corrosive fumes. Reacts with strong oxidants and strong bases.

Packaging and LabellingDo not transport with food and feedstuffs. Marine pollutant.

安全と保護具

Fire FightingUse water spray, powder, foam, carbon dioxide.

First Aid Measures · 4 件

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention .

Safe StorageSeparated from strong oxidants, strong bases and food and feedstuffs. Well closed. Keep in a well-ventilated room.

Spillage Disposal · 1 件

Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. Personal protection: chemical protection suit including self-contained breathing apparatus.

Eye PreventionWear face shield.

Fire PreventionNO open flames.

毒性情報

Exposure RoutesThe substance can be absorbed into the body by inhalation and through the skin.

Signs and Symptoms · 3 件

Blue lips, fingernails and skin. Headache. Dizziness. Nausea. Confusion. Laboured breathing. Convulsions. Unconsciousness.

MAY BE ABSORBED! Further see Inhalation.

Further see Inhalation.

法規制情報

Regulatory InformationBenzene, 4-chloro-1,2-dinitro-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3441 6.1/PG 2
hs_code: 2904990090
risk_code: 23/24/25-33-50/53
化審法: (3)-454
消防法: 危-5-II
hazard_code: T,N
safety_code: 28-36/37-45-60-61-28A
hazard_class: 6.1
packing_group: II

化学と産業

用途と製造

General Manufacturing InformationBenzene, 4-chloro-1,2-dinitro-: ACTIVE

応用分野 · 3 件

説明Securinine is derived from the leaf of Securinega suffruticosa Rehd., which was first separated by V.I.Murav’eva in 1956 . Securinega suffruticosa Rehd., a kind of subshrub plant, is widely distributed in temperate and subtropical regions . It has strong adaptability and can be planted in most parts of China. Moreover, it is rich in natural resources. Securinega suffruticosa Rehd. is a folk medicine whose root is the main component, with the effects of activating circulation, spleen, and stomach to treat rheumatism waist pain, limb numbness, infant malnutrition, and other diseases. The roots, stems, leaves, flowers, and skin of Securinega suffruticosa Rehd. contain alkaloids, in which securinine is the main ingredient.

来歴Securinine was first isolated by a Soviet scholar from the Wusuli region, but its chemical structure was separated and finally determined by Chinese scholars from local sources . The main structural feature is a tetracyclic compound containing an indolizine, pyrrole elidine, or quinolizine ring and an α, β-unsaturated pentahydrin ring whose basic structural skeleton type is as shown in what follows .Owing to the complexity of the chemical reaction of securinine, reports on its chemical reactivity and structural modification have been relatively scarce since securinine was reported on in 1956. However, the research on chemical total synthesis and biological activities of securinine has made a certain amount of progress.Securinine has a rigid molecular structure containing four rings and three chiral centers, which makes synthesis difficult. From 1974 to 1978, three research groups from Japan, the USA, and Canada studied the biosynthesis of securinine by feeding animals with isotope-labeled S. suffruticosa.

使用3,4-Dinitrochlorobenzene is a useful reactant in organic synthesis.