基本情報
- CAS
3081-14-9- 標準SMILES
CC(C)CCC(C)Nc1ccc(NC(C)CCC(C)C)cc1- InChIKey
ZJNLYGOUHDJHMG-UHFFFAOYSA-N- 分子式
- C20H36N2
- 平均分子量
- 304.5 g/mol
- 単同位体質量
- 304.28784916
概要
N,n'-bis(1,4-dimethylpentyl)-p-phenylenediamine is a deep red slightly viscous liquid with an aromatic odor. (NTP, 1992)
名称と識別子
- 優先名称
- N,N'-bis(1,4-dimethylpentyl)-p-phenylenediamine
- IUPAC
- 1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
- 現地名
- N,N'-1,4-フェニレンビス(5-メチル-2-ヘキサンアミン)
- 英語名
- N,N'-Bis(1,4-dimethylpentyl)-p-phenylenediamine
- 分子式
- C20H36N2
- 分子量
- 304.51
名称と別名
N,N'-BIS(1,4-DIMETHYLPENTYL)-P-PHENYLENEDIAMINEEastozone1,4-Benzenediamine, N,N'-bis(1,4-dimethylpentyl)-CCRIS 4750UNII-8VAF71SNQ5EINECS 221-375-98VAF71SNQ5BRN 27390281,4-Benzenediamine, N1,N4-bis(1,4-dimethylpentyl)-N,N'-Bis-(1,4 dimethylpentyl)-p-phenylenediamineDTXSID2024618EC 221-375-9
名称をさらに表示
イーストゾーン33サントフレックス77酸化防止剤4030N,N'-1,4-フェニレンビス(5-メチル-2-ヘキサンアミン)N,N'-ジ(1,4-ジメチルペンチル)-p-フェニレンジアミンN,N'-ビス(1,4-ジメチルペンチル)-1,4-フェニレンジアミンN,N'-ビス(1,4-ジメチルペンチル)-p-フェニレンジアミンN,N'-ビス(1,4-ジメチルペンチル)-1,4-ベンゼンジアミン抗酸化剤4030N,N'-ビス(1,4-ジメチルペンチル)ベンゼン-1,4-ジアミンN，N’-ビス（5-メチルヘキサン-2-イル）ベンゼン-1，4-ジアミン77PD77ppduop788tenamene4flexzone4lnci-c56337santoflex77eastozone33Unilink 7100
物性
構造計算による物性
- XLogP
- 6.8
- 極性表面積
- 24.1 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 10
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 239
実験および物理化学的性質
Density0.91 (NTP, 1992) - Less dense than water; will float
Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Flash Pointgreater than 200 °F (NTP, 1992)
Boiling Point459 °F at 13.5 mmHg (NTP, 1992)
Melting Point-33 °F (NTP, 1992)
Physical Description
N,n'-bis(1,4-dimethylpentyl)-p-phenylenediamine is a deep red slightly viscous liquid with an aromatic odor. (NTP, 1992)
Liquid
物理化学的性質
- 沸点
- 435.32 °C · 435.32°C (rough estimate)
- 比重(密度)
- 0.9452 · 0.9452 (rough estimate)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.645 · 1.6450 (estimate)
- 溶解性
- 1 · DMSO: Sparingly soluble: 1-10 mg/mlEthanol: Soluble: =10 mg/ml
- 酸解離定数(Pka)
- 8.59 · 8.59±0.50(Predicted)
- 水溶解度
- 800 μg/L · 800μg/L at 22℃
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 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
Regulatory Information
Chemical: 1,4-Benzenediamine, N,N'-bis(1,4-dimethylpentyl)-
1,4-Benzenediamine, N1,N4-bis(1,4-dimethylpentyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenediamine, N1,N4-bis(1,4-dimethylpentyl)- 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: N,N'-bis(1,4-dimethylpentyl)-p-phenylenediamine (EC: 221-375-9)
1,4-Benzenediamine, N,N'-bis(1,4-dimethylpentyl)-: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include eye or skin irritation. (NTP, 1992)
Reactive GroupAmines, Aromatic
Reactivity Profile
N,N'-BIS(1,4-DIMETHYLPENTYL)-P-PHENYLENEDIAMINE may react with oxidizing agents (NTP, 1992). Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
化学と産業
用途と製造
U.S. Production2023: 550,000 - <1,000,000 lb
Industry UsesAntioxidant
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
1,4-Benzenediamine, N1,N4-bis(1,4-dimethylpentyl)-: ACTIVE
応用分野
使用N-Cyclohexyl-2-benzothiazyl sulphenamide is an intermediate in organic synthesis; an accelerator in natural and styrene-butadienethiazyl sulfenamide rubber.
一般的な説明Deep red slightly viscous liquid with an aromatic odor.
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