4-Methylpiperidine (HCID 69381)

名称と識別子

優先名称: 4-Methylpiperidine
IUPAC: 4-methylpiperidine
現地名: 4-ピペコリン
英語名: 4-Methylpiperidine
分子式: C6H13N
分子量: 99.17

名称と別名

4-Methylpiperidine626-58-44-PipecolinePiperidine, 4-methyl-gamma-PipecolineEV6HN6HDP8NSC-66495DTXSID8060820RefChem:99934DTXCID6043418210-954-1.gamma.-Pipecoline

名称をさらに表示

4-ピペコリン4-メチルピペリジン4-ピペコリン(γ-〃)4-メチルピペリジン(4-ピペコリン)4‐メチルピペリジン4PPC4-Methylpiperidine solution4Me-Pipg-PipecolineAKOS BBS-000036664-methyl-piperidin

4-Methyl-piperidine4-methylpiperidin4-Methylpiperidine--d4MFCD00006005?-Pipecoline4-methylpiperdine4-methylpyperidine4-Pipecoline; 4-Methylpiperidine; NSC 126910; NSC 66495; gamma-Pipecoline

データベース識別子

CAS: 626-58-4
PubChem CID: 69381
DTXSID: DTXSID8060820
ChEMBL: CHEMBL21533
UNII: EV6HN6HDP8
EC Number: 210-954-1
Nikkaji: J6.864K

物性

構造計算による物性

XLogP: 1.1
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 46

実験および物理化学的性質

Physical DescriptionColorless liquid with an amine-like odor; [Alfa Aesar MSDS]

Kovats Retention Index · 2 件

831；816；816

1077；1075

物理化学的性質

融点: 4 · 4-5 °C
沸点: 124 °C · 124 °C(lit.)
比重(密度): 0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
蒸気圧: 16 hPa · 16 hPa (20 °C)
屈折率: 20 · n20/D 1.446(lit.)
闪点: 45 °F · 45 °F
貯蔵温度: Flammables area
溶解性: クロロホルム
外見: 液体
酸解離定数(Pka): 1 · pK1:11.23(+1) (25°C,μ=0.5)
比重: 0.838 · 0.838
色: やや黄色く澄んでいる
PH: 13 · 13 (100g/l, H2O, 20℃)
水溶解度: 混和性
BRN: 1083 · 1083
InChI: 1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
InChIKey: UZOFELREXGAFOI-UHFFFAOYSA-N
SMILES: CC1CCNCC1
CAS データベース: 626 · 626-58-4(CAS DataBase Reference)
NISTの化学物質情報: 4 · Piperidine, 4-methyl-(626-58-4)
EPAの化学物質情報: 4 · Piperidine, 4-methyl- (626-58-4)

化学的性質

化学的特性clear slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (12.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (27.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (70.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (70.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (70.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 · 3 件

Chemical: Piperidine, 4-methyl-

Status: Active Update: 13-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19405

4-Methylpiperidine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Piperidine.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Acute Tox. 4 (12.3%)；Skin Corr. 1A (27.7%)；Skin Irrit. 2 (70.8%)；Eye Irrit. 2 (70.8%)；STOT SE 3 (70.8%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

法規制情報

Regulatory Information · 3 件

Chemical: Piperidine, 4-methyl-

Status: Active Update: 13-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19405

4-Methylpiperidine: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29333999
risk_code: 11-36/37/38-36-20/21-10-61
化審法: (5)-768
消防法: 危-4-1-II
hazard_code: F,Xi,T
safety_code: 16-26-36-45-36/37-53
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationPiperidine, 4-methyl-: ACTIVE

応用分野

使用4-Methylpiperidine is used as a catalyst in the synthesis of stilbene derivatives as anti-malarial agents. It also serves as an anti-corrosive compound for iron.

調製方法

純化方法Purify it via the hydrochloride (m 189o). It is freed from 3-methylpyridine by zone melting. The hydrobromide has m 173o(from butanone/*C6H6). [Beilstein 20 III/IV 1511, 20/4 V 116.]

上流・下流製品情報

下流製品

2-(4-メチル-1-ピペリジニル)エタンアミン 4-Methylenepiperidine 4-Methyl-1,2,3,6-tetrahydropyridine 1-(Chloroacetyl)-4-methylpiperidine 1-Piperidineacetic acid, 4-methyl-, ethyl ester 4-メチル-1-ニトロソピペリジン 2-chloro-6-(4-methylpiperidine-1-carbonyl)pyridine 2,2-Dimethyl-3-(4-methyl-piperidin-1-yl)-propionaldehyde (4-Amino-phenyl)-(4-methyl-piperidin-1-yl)-methanone (4-(Chloromethyl)piperidin-1-yl)(phenyl)methanone 4-(4-メチルピペリジン-1-イル)ベンズアルデヒド (2R,4R)-1-[(2S)-2-[(tert-Butyloxycarbonyl)aMino]-5-[[iMino(nitroaMino)Methyl]aMino]-1-oxopentyl]-4-Methyl-2-piperidinecarboxylic Acid Benzyl Ester

サプライヤー50 社

山东玖玥生物科技有限公司15553333686

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]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

4-ピペコリン

基本情報