基本情報
- CAS
13927-77-0- 標準SMILES
CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]- InChIKey
HPOWMHUJHHIQGP-UHFFFAOYSA-L- 分子式
- C18H36N2NiS4
- 平均分子量
- 467.5 g/mol
- 単同位体質量
- 466.111476
概要
Nickel bis(dibutyldithiocarbamate) is a chemical compound of nickel. Nickel is a chemical compound with the atomic number 28. It is found abundantly in nature in laterite ore minerals, such as limonite, garnierite, and pentlandite. Nickel has a biological role and is found in certain enzymes, including urease, hydrogenase, methylcoenzyme M reductase, and carbon monoxide dehydrogenase. (L40, L41)
名称と識別子
- 優先名称
- Nickel bis(dibutyldithiocarbamate)
- IUPAC
- bis(N,N-dibutylcarbamodithioate);nickel(2+)
- 現地名
- ジブチルジチオカルバミン酸ニッケル(II)
- 英語名
- Nickel dibutyldithiocarbamate
- 分子式
- C18H36N2NiS4
- 分子量
- 467.45
名称と別名
名称をさらに表示
データベース識別子
- CAS
13927-77-0- PubChem CID
- 6101499
- DTXSID
DTXSID2020927- UNII
- 99D240X626
- EC Number
- 237-696-2
- Nikkaji
- J39.906J
物性
構造計算による物性
- 極性表面積
- 72.7 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
- 12
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 112
実験および物理化学的性質
Physical Description
Dry Powder
Dark green solid; [Hawley] Flakes; [MSDSonline]
物理化学的性質
- 融点
- 86 °C · 86°C
- 沸点
- 450.81 °C · 450.81°C (estimate)
- 比重(密度)
- 1 · 1,26 g/cm3
- 蒸気圧
- 0.081 Pa · 0.081Pa at 25℃
- 闪点
- 260 °C · 260°C
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 溶解性
- Practically insoluble in water
- 外見
- powder to crystal
- 比重
- 1.26 · 1.26
- 色
- 6 H6/EtOH · C6H6/EtOH からの緑色の結晶
- 水溶解度
- 8.93 μg/L · 8.93μg/L at 20℃
- LogP
- 5.44 at · 5.44 at 25℃
- CAS データベース
- 13927 · 13927-77-0(CAS DataBase Reference)
- NISTの化学物質情報
- Bis(dibutyldithiocarbamate)nickel complex(13927-77-0)
- EPAの化学物質情報
- Nickel dibutyldithiocarbamate (13927-77-0)
化学的性質
化学的特性Dark-green flakes.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 36.4% (4 of 11) of reports.
Warning
H319 (54.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P203, P264+P265, P273, P280, P305+P351+P338, P318, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
危険有害性情報
Regulatory Information
Chemical: Nickel, bis(dibutylcarbamodithioato-S,S')-, (SP-4-1)-
Nickel, bis(N,N-dibutylcarbamodithioato-.kappa.S,.kappa.S')-, (SP-4-1)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Nickel, bis(N,N-dibutylcarbamodithioato-.kappa.S,.kappa.S')-, (SP-4-1)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Nickel bis(dibutyldithiocarbamate) (EC: 237-696-2)
Restricted substance: Nickel bis(dibutyldithiocarbamate)
Nickel, bis(dibutylcarbamodithioato-.kappa.S,.kappa.S')-, (SP-4-1)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Atmospheric Standards
Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Nickel, bis(dibutyldithiocarbamato)- is included on this list.
NIOSH Recommendations
NIOSH considers nickel metal and other compounds (as Ni) to be a potential occupational carcinogen. /Nickel metal and other compounds (as Ni)/
NIOSH usually recommends that occupational exposures to carcinogens be limited to the lowest feasible concentration. /Nickel metal and other compounds (as Ni)/
Recommended Exposure Limit: 10 Hr TWA 0.015 mg/cu m. /Nickel metal and other compounds (as Ni)/
Hazard Classes and Categories
Eye Irrit. 2 (54.5%)
Carcinogenicity - Category 1A
State Drinking Water Standards
(CA) CALIFORNIA 100 ug/L /Nickel/
(CT) CONNECTICUT 100 ug/l /Nickel/
(DE) DELAWARE 100 ug/l /Nickel/
(FL) FLORIDA 100 ug/L /Nickel/
(WI) WISCONSIN 100 ug/L /Nickel/
State Drinking Water Guidelines
(AZ) ARIZONA 150 ug/l /Nickel/
(MA) MASSACHUSETTS 100 ug/l /Nickel/
(ME) MAINE 140 ug/l /Nickel/
(MN) MINNESOTA 100 ug/l /Nickel/
安全と保護具
Disposal Methods
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.
Threshold Limit Values (TLV)
8 hr Time Weighted Avg (TWA) 0.2 mg/cu m (inhalable fraction). /Nickel, insoluble compounds, as Ni/
Excursion Limit Recommendation: Excursions in worker exposure levels may exceed 3 times the TLV-TWA for no more than a total of 30 minutes during a work day, and under no circumstances should they exceed 5 times the TLV-TWA, provided that the TLV-TWA is not exceeded. /Nickel, insoluble compounds, as Ni/
A1: Confirmed human carcinogen. /Nickel, insoluble compounds, as Ni/
毒性情報
Health Effects
The most common harmful health effect of nickel in humans is an allergic reaction. This usually manifests as a skin rash, although some people experience asthma attacks. Long term inhahation of nickel causes chronic bronchitis and reduced lung function, as well as damage to the naval cavity. Ingestion of excess nickel results in damage to the stomach, blood, liver, kidneys, and immune system, as well as having adverse effects on reproduction and development. (L41)
Toxicity Summary
Nickel is known to substitute for other essential elements in certain enzmes, such as calcineurin. It is genotoxic, and some nickel compounds have been shown to promote cell proliferation. Nickel has a high affinity for chromatin proteins, particularly histones and protamines. The complexing of nickel ions with heterochromatin results in a number of alterations including condensation, DNA hypermethylation, gene silencing, and inhibition of histone acetylation, which have been shown to disturb gene expression. Nickel has also been shown to alter several transcription factors, including hypoxia-inducible transcription factor, activating transcription factor, and NF-KB transcription factor. There is also evidence that nickel ions inhibit DNA repair, either by directly inhibiting DNA repair enzymes or competing with zinc ions for binding to zinc-finger DNA binding proteins, resulting in structural changes in DNA that prevent repair enzymes from binding. Nickel ions can also complex with a number of cellular ligands including amino acids, peptides, and proteins resulting in the generation of oxygen radicals, which induce base damage, DNA strand breaks, and DNA protein crosslinks. (L41, A40)
Evidence for Carcinogenicity
A1: Confirmed human carcinogen. /Nickel, insoluble compounds, as Ni/
Evaluation: There is sufficient evidence in humans for the carcinogenicity of nickel sulfate, and of the combinations of nickel sulfides and oxides encountered in the nickel refining industry. There is inadequate evidence in humans for the carcinogenicity of metallic nickel and nickel alloys. There is sufficient evidence in experimental animals for the carcinogenicity of metallic nickel, nickel monoxides, nickel hydroxides and crystalline nickel sulfides. There is limited evidence in experimental animals for the carcinogenicity of nickel alloys, nickelocene, nickel carbonyl, nickel salts, nickel arsenides, nickel antimonide, nickel selenides and nickel telluride. There is inadequate evidence in experimental animals for the carcinogenicity of nickel trioxide, amorphous nickel sulfide and nickel titanate. The Working Group made the overall evaluation on nickel compounds as a group on the basis of the combined results of epidemiological studies, carcinogenicity studies in experimental animals, and several types of other relevant data, supported by the underlying concept that nickel compounds can generate nickel ions at critical sites in their target cells. Overall evaluation: Nickel compounds are carcinogenic to humans (Group 1). Metallic nickel is possibly carcinogenic to humans (Group 2B). /Nickel compounds/
Antidote and Emergency Treatment
Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilation if necessary. Administer oxygen by nonrebreather mask at 10 t0 15 L/min. Monitor for shock and treat if necessary ... . Monitor for pulmonary edema 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 patient can swallow, has a strong gag reflex, and does not drool ... . /Nickel and related compounds/
Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Consider drug therapy for pulmonary edema ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors for hypotension with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Nickel and related compounds/
法規制情報
Atmospheric Standards
Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Nickel, bis(dibutyldithiocarbamato)- is included on this list.
State Drinking Water Standards
(CA) CALIFORNIA 100 ug/L /Nickel/
(CT) CONNECTICUT 100 ug/l /Nickel/
(DE) DELAWARE 100 ug/l /Nickel/
(FL) FLORIDA 100 ug/L /Nickel/
(WI) WISCONSIN 100 ug/L /Nickel/
State Drinking Water Guidelines
(AZ) ARIZONA 150 ug/l /Nickel/
(MA) MASSACHUSETTS 100 ug/l /Nickel/
(ME) MAINE 140 ug/l /Nickel/
(MN) MINNESOTA 100 ug/l /Nickel/
安全データ
- tsca
- TSCA listed
- rtecs
- QR6140000
- 毒性
- LD50 orl-rat: 17 g/kg IPSTB3 3,93,76
- PRTR法
- 特定第一種指定化学物質
- hs_code
- 2930200090
- 化審法
- (2)-1247
- 安衛法
- 特化則 特定化学物質(管理第2類)
- 有毒物質データの
- 13927-77-0(Hazardous Substances Data)
- 危険度評価(NFPA 704基準/消防庁データ)
- 人的[青]=1
化学と産業
薬理情報
Metabolism/Metabolites
Nickel is absorbed mainly through the lungs and gastrointestinal tract. Once in the body it enters the bloodstream, where it binds to albumin, L-histidine, and _2-macroglobulin. Nickel tends to accumulate in the lungs, thyroid, kidney, heart, and liver. Absorbed nickel is excreted in the urine, wherease unabsorbed nickel is excreted in the faeces. (L41)
用途と製造
Uses
Used as accelerator for rubber vulcanization and an antioxidant for synthetic rubbers; [HSDB]
ACCELERATOR FOR RUBBER VULCANIZATION
Antioxidant for synthetic rubbers
U.S. Production
2022: 42,732 lb
(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
Formulations/Preparations
"NBC" /IS DU PONT DE NEMOURS, EI & CO/ DESIGNATION FOR NICKEL DIBUTYLDITHIOCARBAMATE.
RYLEX NBC
VANGUARD N
General Manufacturing Information
Rubber Product Manufacturing
Nickel, bis(N,N-dibutylcarbamodithioato-.kappa.S,.kappa.S')-, (SP-4-1)-: ACTIVE
応用分野
用途二次老化防止剤
使用Antioxidant for synthetic rubbers.
上流・下流製品情報
上流原料
サプライヤー100 社
関連反応
化合物ノート
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