2-クロロ-1,3-ジニトロベンゼン

1-Chloro-2,6-dinitrobenzene

HCID 11814CAS 606-21-3

基本情報

標準SMILES
O=[N+]([O-])c1cccc([N+](=O)[O-])c1Cl
InChIKey
BPPMIQPXQVIZNJ-UHFFFAOYSA-N
分子式
C6H3ClN2O4
平均分子量
202.55 g/mol
単同位体質量
201.97813426

名称と識別子

優先名称
1-Chloro-2,6-dinitrobenzene
IUPAC
2-chloro-1,3-dinitrobenzene
現地名
2-クロロ-1,3-ジニトロベンゼン
英語名
2-Chloro-1,3-dinitrobenzene
分子式
C6H3ClN2O4
分子量
202.55

名称と別名

2-Chloro-1,3-dinitrobenzene606-21-32,6-DINITROCHLOROBENZENE1-Chloro-2,6-dinitrobenzeneBenzene, 2-chloro-1,3-dinitro-1,3-Dinitro-2-chlorobenzene2-Chloro-1,3-dintrobenzeneNSC 21276HSDB 5432LG72RND0ABEINECS 210-107-6NSC 105590
名称をさらに表示
1-クロロ-2,6-ジニトロベンゼン1,3-ジニトロ-2-クロロベンゼン2-クロロ-1,3-ジニトロベンゼン2,6-ジニトロフェニルクロリドBendamustine Impurity 53Vortioxetine Impurity 652,6-Dinitrophenyl chloride2-chloro-1,3-dinitro-benzen2,6-Dinitro-1-Chlorobenzene
BRN 0522187NSC-21276NSC-105590DTXSID30413784-05-00-00744 (Beilstein Handbook Reference)2-CHLORO-1,3-DINITROBENZENE [MI]2,6Dinitrochlorobenzene2Chloro1,3dintrobenzene

データベース識別子

CAS
606-21-3
PubChem CID
11814
DTXSID
DTXSID3041378
ChEMBL
CHEMBL2003074
UNII
LG72RND0AB
EC Number
210-107-6
Nikkaji
J95.413F

物性

構造計算による物性

XLogP
1.8
極性表面積
91.6 Ų
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

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesSchoenflies notation
Density1.6867 g/ml @ 16.5 °C
Color/FormYellow crystals from benzene
SolubilityModerately soluble in benzene, ether; soluble in alcohol. Practically insoluble in water.
Boiling Point315 °C

物理化学的性質

融点
86 · 86-88°C
沸点
315 °C · 315°C
比重(密度)
1 · 1,687 g/cm3
屈折率
1.587 · 1.5870 (estimate)
闪点
315 °C · 315°C
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性Yellow crystals. Soluble in ethanol, ether, and toluene

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards Summary · 1 件

Emergency treatment: Nitrobenzene. [HSDB] May cause primary and allergic dermatitis; A skin irritant; [Merck Index] Dinitrochlorobenzene (DNCB) is a potent contact allergen that has been used in the treatment of alopecia areata and cutaneous metastasis of malignant melanoma; [Kanerva, p. 1787] An irritant; [MSDSonline] See 1-Chloro-2,4-dinitrobenzene.

DOT Emergency Guidelines · 5 件

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Chlorodinitrobenzenes; Chlorodinitrobenzenes, liquid; Chlorodinitrobenzenes, solid/

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. /Chlorodinitrobenzenes; Chlorodinitrobenzenes, liquid; Chlorodinitrobenzenes, solid/

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Chlorodinitrobenzenes; Chlorodinitrobenzenes, liquid; Chlorodinitrobenzenes, solid/

/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Chlorodinitrobenzenes; Chlorodinitrobenzenes, liquid; Chlorodinitrobenzenes, solid/

For more DOT Emergency Guidelines (Complete) data for 1-CHLORO-2,6-DINITROBENZENE (8 total), please visit the HSDB record page.

Standard Transportation Number49 214 24; Dinitrochlorobenzene
Shipment Methods and Regulations · 3 件

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./

The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.

The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

Shipping Name/ Number DOT/UN/NA/IMO · 2 件

UN 1577; Dinitrochlorobenzenes, liquid or solid

IMO 6.1; Dinitrochlorobenzenes, liquid or solid

Skin, Eye, and Respiratory IrritationsSKIN IRRITANT.

安全と保護具

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Preventive Measures · 3 件

Employees should wash immediately when skin becomes wet, and promptly when skin becomes contaminated; Work clothing should be changed daily if it is reasonably probable that the clothing is contaminated; Remove clothing: immediately remove any non-impervious clothing that becomes wet, and promptly remove any non-impervious clothing that becomes contaminated. /Dinitrobenzene/

The following equipment should be available: quick drench. /Dinitrobenzene/

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Personal Protective Equipment (PPE) · 2 件

Wear appropriate equipment to prevent reasonable probability of skin contact; wear eye protection to prevent reasonable probability of eye contact. /Dinitrobenzene/

Respirator selection: Upper limit devices recommended by OSHA: 5 mg/cu m: any dust and mist respirator except single-use respirators; 10 mg/cu m: any dust and mist respirator except single-use and quarter-mask respirators or any supplied air respirator or high-efficiency particulate filter or any self-contained breathing apparatus; 25 mg/cu m: any powdered air-purifying respirator with a dust and mist filter or any supplied-air respirator operated in a continuous flow mode; 50 mg/cu m: high-efficiency particulate filter or any powered air-purifying respirator with a tight-fitting facepiece and a high-efficiency particulate filter or any self-contained breathing apparatus with a full facepiece or any supplied-air respirator with a full facepiece or any supplied-air respirator with a tight-fitting facepiece operated in a continuous flow mode; 200 mg/cu m: any supplied-air respirator with a half-mask and operated in a pressure-demand or other positive pressure mode; Emergency or planned entry in unknown concn or IDLH conditions: any self-contained breathing apparatus with a full facepiece and operated in a pressure-demand or other positive pressure mode or any supplied-air respirator with a full facepiece and operated in a pressure-demand or other positive pressure mode in combination with an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive pressure mode; escape: any air-purifying full facepiece respirator with a high-efficiency particulate filter or any appropriate escape-type self-contained breathing apparatus. /Dinitrobenzene/

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Human Toxicity Excerpts · 2 件

... CHRONIC POISONING BY INDUSTRIAL EXPOSURE ... CAUSE GRADUAL ONSET OF SYMPTOMS OF RETROBULBAR NEURITIS, WITH BLURRING OF VISION, CENTRAL SCOTOMA, ESPECIALLY FOR GREEN, & CONSTRICTION OF VISUAL FIELDS. @ FIRST OPHTHALMOSCOPIC FINDINGS ARE NORMAL, BUT OPTIC NEURITIS MAY GRADUALLY BECOME EVIDENT ... . /DINITROCHLOROBENZENE/

CHRONIC POISONING BY INDUSTRIAL EXPOSURE ... IMPAIRED PUPILLARY REACTION IN ACCOMMODATION HAS BEEN NOTED DESPITE GOOD PUPILLARY RESPONSE TO LIGHT. TYPICALLY THE RETROBULBAR NEURITIS HAS BEEN ASSOCIATED WITH PERIPHERAL NEURITIS MANIFEST AS PARESTHESIAS & PAINS IN LEGS & BURNING OF FEET. /DINITROCHLOROBENZENE/

Non-Human Toxicity Excerpts · 1 件

Mutagenicity of 102 aliphatic and aromatic nitro compounds, industrial materials and related chemicals were tested by pre-incubation method using Salmonella typhimurium TA100 and TA98 strains with and without S9 mix. ... Mutagenicity of dinitrobenzene was enhanced by the introduction of ... chloro- group. ... /Chlorodinitrobenzenes/

Antidote and Emergency Treatment · 2 件

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patent can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aniline and related compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aniline and related compounds/

安全データ

tsca
TSCA listed
rtecs
CZ0525500
ridadr
3441
hs_code
29049090
risk_code
23/24/25-33-50/53
safety_code
28-36/37-45-60-61

化学と産業

用途と製造

Uses · 4 件

Used as an intermediate in the manufacture of picric acid; Has been used as a topical adjuvant in immunotherapy of tumors; [HSDB]

For 1-Chloro-2,6-dinitrobenzene (USEPA/OPP Pesticide Code: 055102) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

INTERMEDIATE IN MFR OF PICRIC ACID /CHLORODINITROBENZENE/

Has been used as an adjuvant in immunotherapy of tumors of the skin, and of the conjunctiva. /Dinitrochlorobenzene/

Methods of ManufacturingPrepd from 2,6-dinitroaniline by the Sandmeyer reaction.
General Manufacturing Information · 4 件

Benzene, 2-chloro-1,3-dinitro-: INACTIVE

THE MIXT OF 2,4- AND 2,6-DINITROCHLOROBENZENES (OF WHICH THE 2,4-CMPD IS PRESENT IN LARGEST AMT) CAN BE SEPARATED WITH AN ALKALINE ETHANOL-WATER SOLN.

Commercial chlorodinitrobenzene is usually mixt of six possible isomers, which are closely related chemically and physically to each other. /Chlorodinitrobenzenes/

CHLORODINITROBENZENE IS...ENCOUNTERED AS AN INT IN MFR OF PICRIC ACID, AND FORMERLY EMPLOYED IN COMBINATION WITH DINITROBENZENE IN AN EXPLOSIVE KNOWN AS ROBURITE.

応用分野

用途有機合成試薬。

使用2-Chloro-1,3-dinitrobenzene can be used as intermediates of dyes and pigments. Also used as solvents in HPLC, NMR.

サプライヤー50 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
环生美森医药技术(山东)有限公司0531-88762217 18301471076 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

関連反応

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