基本情報
- CAS
2432-74-8- 標準SMILES
N#CCCCCCN- InChIKey
KBMSFJFLSXLIDJ-UHFFFAOYSA-N- 分子式
- C6H12N2
- 平均分子量
- 112.17 g/mol
- 単同位体質量
- 112.10004838
名称と識別子
- 優先名称
- 6-Aminohexanenitrile
- IUPAC
- 6-aminohexanenitrile
- 現地名
- ε-アミノカプロニトリル
- 英語名
- 6-Amino capronitrile
- 分子式
- C6H12N2
- 分子量
- 112.17
名称と別名
6-AMINOHEXANENITRILE2432-74-86-AminocapronitrileHexanenitrile, 6-amino-Hexanenitrile, amino-omega-Aminocapronitrile6-AminohexanonitrileHSDB 5879EINECS 219-409-2NSC 510NSC-510TGU4NDJ80Y
名称をさらに表示
6-アミノカプロニトリル6-アミノヘキサンニトリルε-アミノカプロニトリルεアミノカプロニトリルε-アミノ-カプロニトリルε-Aminocapronitrilew-AminocapronitrileTIMTEC-BB SBB0084866-amino-hexanenitril6-Amino capronitrile6-azanylhexanenitrile
DTXSID60624166-AMINOHEXANENITRILE [HSDB]6aminocapronitrile6AminohexanonitrileomegaAminocapronitrileHexanenitrile, 6aminoRefChem:540346DTXCID1037060
データベース識別子
- CAS
2432-74-8、31196-10-8- PubChem CID
- 17079
- DTXSID
DTXSID6062416- UNII
- TGU4NDJ80Y
- EC Number
- 219-409-2
- Nikkaji
- J56.066I
物性
構造計算による物性
- XLogP
- 0
- 極性表面積
- 49.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 79.8
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Nitriles
Physical Description
Liquid
Colorless liquid; [MSDSonline]
物理化学的性質
- 融点
- -31.3 °C · -31.3°C
- 沸点
- 200.13 °C · 200.13°C (rough estimate)
- 比重(密度)
- 0.8929 · 0.8929 (rough estimate)
- 屈折率
- 1.4475 · 1.4475
- 貯蔵温度
- Refrigerator, Under inert atmosphere
- 溶解性
- クロロホルム（微量）、DMSO（微量）、メタノール（微量）
- 外見
- 油
- 酸解離定数(Pka)
- 10.38 · 10.38±0.10(Predicted)
- 色
- 無色～淡黄色
- InChI
- InChI=1S/C6H12N2/c7-5-3-1-2-4-6-8/h1-5,7H2
- InChIKey
- KBMSFJFLSXLIDJ-UHFFFAOYSA-N
- SMILES
- C(#N)CCCCCN
- EPAの化学物質情報
- 6 · Hexanenitrile, 6-amino- (2432-74-8)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Hexanenitrile, 6-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanenitrile, 6-amino- 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)
Hazards SummaryIn lethal-dose studies of rabbits by skin absorption, causes somnolence and acute pulmonary edema; [RTECS] An irritant; [MSDSonline] See NITRILES.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Adverse EffectsOther Poison - Chemical Asphyxiant
安全データ
- tsca
- TSCA listed
- rtecs
- MO4085000
- 有毒物質データの
- 2432-74-8(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Not commercially used or produced in the US; [HSDB]
NO EVIDENCE OF COMMERCIAL USE IN U.S.
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 75,000 - <500,000 lb
(1979) NOT PRODUCED COMMERCIALLY IN U.S.
(1981) NOT PRODUCED COMMERCIALLY IN U.S.
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Hexanenitrile, 6-amino-: ACTIVE
Hexanenitrile, amino-: INACTIVE
調製方法
純化方法When 6-amino capronitrile is produced by partial hydrogenation of adiponitrile, hexamethylenediamine and tetrahydroazepine (THA) are also coproduced. The hexamethylenediamine can be easily removed from the mixture by simple distillation. The process for the recovery of 6-amino capronitrile from a mixture containing 6-amino capronitrile and THA which comprises (a) heating said mixture at a temperature about 235 ℃, to convert THA to higher boiling compounds; (b) then distilling the 6-amino capronitrile from the resulting mixture.
上流・下流製品情報
上流原料
関連反応
7 件
化合物ノート
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