1,12-Dodecanediamine (HCID 17727)

名称と識別子

優先名称: 1,12-Dodecanediamine
IUPAC: dodecane-1,12-diamine
現地名: 1,12-ジアミノドデカン
英語名: 1,12-Dodecanediamine
分子式: C12H28N2
分子量: 200.36

名称と別名

1,12-Diaminododecane2783-17-71,12-DODECANEDIAMINEDodecamethylenediamineDodecyldiamine1,12-Dodecamethylenediamine1,12'-Dodecylenediamine1,12'-DodecamethylenediamineJ3LM80W9NTNSC-55050NSC-59861DTXSID2044636

名称をさらに表示

1,12-ジアミノドデカンドデカン-1,12-ジアミンジアミノドデカン1,12-ドデカンジアミン1，12ジアミノドデカンドデカメチレンジアミン1,12-ジアミノドデカン, 98+%DODECANEDIAMINEN12N,N-12NDiaminododecane1,12-DODECANEDIAMERARECHEM AL BW 0116Decanethylenediamine

RefChem:410376DTXCID0024636220-489-6Dodecane-1,12-diamine1,12-DiamindodecaneN12NNSC 55050NSC 59861

データベース識別子

CAS: 2783-17-7
PubChem CID: 17727
DTXSID: DTXSID2044636
ChEMBL: CHEMBL69590
ChEBI: CHEBI:49385
UNII: J3LM80W9NT
EC Number: 220-489-6
Nikkaji: J42.964C

物性

構造計算による物性

XLogP: 3
極性表面積: 52 Å²
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: 11
重原子数: 14
形式電荷: 0
複雑度: 82

実験および物理化学的性質

Physical DescriptionAqueous solution (90% water); [Aldrich MSDS]

物理化学的性質

融点: 67 · 67-69 °C(lit.)
沸点: 304 °C · 304°C
比重(密度): 0.8417 · 0.8417 (rough estimate)
蒸気圧: 0.04 Pa · 0.04Pa at 25℃
屈折率: 1.4383 · 1.4383 (estimate)
闪点: 311 °F · 311 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: エタノールに可溶。
外見: powder to lump
酸解離定数(Pka): 10.97 · 10.97±0.10(Predicted)
色: White to Almost white
水溶解度: 520 mg/L · 520mg/L at 19.5℃
BRN: 1742765 · 1742765
InChI: 1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
InChIKey: QFTYSVGGYOXFRQ-UHFFFAOYSA-N
SMILES: NCCCCCCCCCCCCN
LogP: 2.2 at · 2.2 at 21℃
CAS データベース: 2783 · 2783-17-7(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,12-Dodecanediamine (2783-17-7)

化学的性質

化学的特性WHITE CRYSTALLINE SOLID

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 7.1% (4 of 56) of reports.

Danger

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (82.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (10.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (73.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H331 (12.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H400 (10.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 56 reports by companies.；There are 6 notifications provided by 52 of 56 reports by companies with hazard statement code(s).；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 Information · 2 件

Status: Active Update: 28-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29535；Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25721

1,12-Dodecanediamine: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

A mild eye irritant; Causes hypermotility, weight loss, and respiratory depression in inhalation studies of rats; Causes inflammation of trachea and bronchi in 2-week intermittent inhalation studies of rats; [RTECS] Causes burns; May cause skin sensitization; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Aldrich MSDS] See 1,8-Octamethylenediamine and 1,6-Diaminohexane.

Hazard Classes and CategoriesAcute Tox. 4 (92.9%)；Skin Corr. 1B (82.1%)；Skin Irrit. 2 (10.7%)；Skin Sens. 1B (73.2%)；Eye Dam. 1 (12.5%)；Acute Tox. 3 (12.5%)；Aquatic Acute 1 (10.7%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

Toxicity DataLC50 (rat) = 680 mg/m3/4hr

法規制情報

Regulatory Information · 2 件

Status: Active Update: 28-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29535；Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25721

1,12-Dodecanediamine: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 1
tsca: TSCA listed
rtecs: JR2200000
ridadr: UN 3259 8/PG 3
hs_code: 29212900
risk_code: 22-34-43
化審法: (2)-2370
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1BSkin Sens. 1
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing Information1,12-Dodecanediamine: ACTIVE

応用分野

用途有機合成原料。

使用Feedstock for polymer synthesis. Source of twelve carbon chain for medicinal drugs.1

上流・下流製品情報

下流製品

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

補足説明 · 2 件

定義ChEBI: An alkane-alpha,omega-diamine that is dodecane substituted by amino groups at positions 1 and 12.

定義Diamines containing more than six carbon atoms can be obtained readily by hydrogenating the corresponding dinitriles over a Raney nickel catalyst in a batch procedure under pressure at up to 125 ℃. A five- to tenfold excess of liquid ammonia is used, with or without methanol solvent. Higher diamines can be prepared continuously, as described for the production of hexamethylenediamine.