N-甲基哌嗪

1-Methylpiperazine

HCID 53167CAS 109-01-3

基本信息

标准SMILES
CN1CCNCC1
InChIKey
PVOAHINGSUIXLS-UHFFFAOYSA-N
分子式
C5H12N2
平均分子量
100.16 g/mol
单同位素质量
100.10004839

名称与标识

首选名称
1-Methylpiperazine
IUPAC
1-methylpiperazine
中文名
N-甲基哌嗪
英文名
1-Methylpiperazine
分子式
C5H12N2
分子量
100.16

名称与别名

1-MethylpiperazineN-Methylpiperazine109-01-3PIPERAZINE, 1-METHYL-1-methyl piperazineB92I95EL9QNSC-30195NSC-30675DTXSID4021898RefChem:434645DTXCID601898CHEBI:46920
展开更多名称
甲基哌嗪-甲基哌嗪1-甲基哌嗪N-甲基哌嗪N-甲己哌嗪N-甲基呱嗪奥氮平杂质15枸橼酸乙胺嗪A伊马替尼杂质54N-甲哌【口+井】NMPRZ1-MethyipiperazineN-MethylpiperazinPiperazine,1-methyl-CL046AKOS BBS-000036651-methyl-piperazin
203-639-54-Methylpiperazinen-methyl piperazine1-Methyl-piperazineMETHYLPIPERAZINEmethyl piperazineN-METHYL-PIPERAZINE1-methylpyperazine

数据库标识

CAS
109-01-3
PubChem CID
53167
DTXSID
DTXSID4021898
ChEMBL
CHEMBL1011
ChEBI
CHEBI:166561
UNII
B92I95EL9Q
EC Number
203-639-5
Nikkaji
J1.011A

性质

结构计算性质

XLogP
-0.4
极性表面积
15.3 Ų
氢键供体
1
氢键受体
2
可旋转键
0
重原子
7

实验与物化性质

Vapor Pressure3.0 [mmHg]
Physical DescriptionClear light yellow hygroscopic liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index · 2 条

839;847;852;838.5

1266;1270;1274;1282;1282;1286;1262

物理化学性质

熔点
-6 °C · -6 °C
沸点
138 °C · 138 °C(lit.)
密度
0.903 g/mL · 0.903 g/mL at 25 °C(lit.)
蒸气密度
3.5 · 3.5 (vs air)
蒸气压
12 hPa · 12 hPa (20 °C)
折射率
20 · n20/D 1.466(lit.)

化学性质

无色液体。沸点138℃(140℃),相对密度0.903(20/4℃),折光率1.4378,闪点42℃,溶于水、乙醚、乙醇,与水、甲醇等任意比互溶,在水溶液中呈弱碱性。

安全与法规

GHS分类

GHS Classification · 6 条

This chemical does not meet GHS hazard criteria for 1.1% (4 of 377) of reports.

Danger

H226 (98.7%): Flammable liquid and vapor [Warning Flammable liquids];H312 (44.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (98.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H317 (53.8%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (51.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H330 (24.4%): Fatal if inhaled [Danger Acute toxicity, inhalation];H331 (12.5%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (56.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P333+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 377 reports by companies from 24 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 377 reports by companies.;There are 23 notifications provided by 373 of 377 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.

危害信息

Regulatory Information · 4 条

Chemical: Piperazine, 1-methyl-

Status: Active Update: 08-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13739;Status: Active Update: 20-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18323

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

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazards Summary · 1 条

Causes skin corrosion in acute dermal studies of rabbits; Causes convulsions in acute inhalation studies of mice; Causes multiple liver effects, changes in renal tubules, changes in recording from peripheral motor nerve, and general anesthesia in acute oral studies of mice; [RTECS] Causes burns; May cause skin sensitization; Harmful by inhalation; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by skin absorption; Toxic by inhalation; [Sigma-Aldrich MSDS] See Piperazine and salts.

Hazard Classes and Categories · 2 条

Flam. Liq. 3 (98.7%);Acute Tox. 4 (44.8%);Skin Corr. 1B (98.9%);Skin Sens. 1B (53.8%);Eye Dam. 1 (51.7%);Acute Tox. 1 (24.4%);Acute Tox. 3 (12.5%);Acute Tox. 4 (56.8%)

Corrosives, Flammable agents - 2nd degree

毒理信息

Adverse Effects · 1 条

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.;Dermatotoxin - Skin burns.;Skin Sensitizer - An agent that can induce an allergic reaction in the skin.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Toxicity DataLC50 (mouse) = 2,740 mg/m3/2hr

法规信息

Regulatory Information · 4 条

Chemical: Piperazine, 1-methyl-

Status: Active Update: 08-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13739;Status: Active Update: 20-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18323

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

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

安全数据

wgk
2
tsca
TSCA listed
毒性
LD50 orally in Rabbit: 2547 mg/kg LD50 dermal Rabbit 1341 mg/kg
RTECS号
TM1225000
hazard_note
Flammable/Toxic/Corrosive/Store under nitrogen
包装类别
III

化学与工业

用途与制造

UsesUsed to make large scale and fine chemicals; [ECHA REACH Registrations]
General Manufacturing InformationPiperazine, 1-methyl-: ACTIVE
应用领域 · 4 条

用途有机合成中间体。在医药工业中用于制取抗菌素类药物甲哌利福霉素、抗精神病药三氟拉嗪等。主要用作氧氟沙星、氯氮平、西地那非、吐立抗、佐匹克隆等药物的中间体,亦可用于农药、染料、塑料等行业。

用途合成硝呋哌酮(又名呋喃哌嗪酰胺,Nifurpipone)、三氟拉嗪等数十种药物

用途有机合成、制药、合成纤维等的中间体。

用途用于制取抗菌类药物甲哌利福霉素、抗精神病药三氟拉嗪及氧氟沙星等

制备方法

生产方法由六水哌嗪经甲基化反应而得。将六水哌嗪及盐酸加入反应锅中,加热至45℃,滴加甲酸和甲醛的混合液。加毕,在50℃左右反应2-3h,再升温回流,至二氧化碳气体不再逸出为止。冷却至80℃,加入盐酸,加热蒸酸至干。稍冷后加入甲醇,加热回流30min,趁热过滤(滤渣为哌嗪二盐酸盐)。滤液回收甲醇至尽,残液加入氢氧化钠溶液至pH=14,蒸馏,得含水甲基哌嗪。加苯加热回流带水至尽,分馏,收集132-140℃馏分,得无水甲基哌嗪。收率约50%。

试剂价格

M0553 · 5ML
N-甲基哌嗪1-Methylpiperazine — 80元
M0553 · 25ML
N-甲基哌嗪1-Methylpiperazine — 195元

供应商50 家

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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