CAS 110-85-0 MFCD00005953-Piperazine 哌嗪,无水 TAO{mole}

Piperazine 哌嗪,无水

CAS 110-85-0 MFCD00005953

化学结构图

SMILES: c1cnccn1

化学属性

Mol. Formula	C4H10N2
Mol. Weight	86.14
Density	1.1
Boiling Point	146-148
Vapor Pressure	0.8 mmHg ( 20 °C)
Melting Point	107-111
Flash Point	88°(190°F)
TSCA	Yes
Solubility	易溶于水，水中溶解度:150 g/L (20°C)，易溶于甘油和乙二醇，溶于醇，实际上不溶于乙醚。10%水溶液的pH为10.8-11.8。
Stability	对光和空气敏感,易吸湿

别名和识别编码

Chemical Name	Piperazine
CAS Number	110-85-0
Alfabeta Name	PIPERAZINE
MDL Number	MFCD00005953
EC Number	203-808-3
Beilstein Registry Number	102555
Synonym	Piperazine {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} hexahydropyrazine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} hexahydro-pyridazine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} hexahydro-pyrazin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} hexahydro-1,4-diazine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} Uvilon {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} Pyrazine hexahydride {} {} {} {} {} {} {} {} {
PubChem Substance ID	4837
Merck Number	7464
Chemical Name Translation	哌嗪,无水
Reaxys-RN	102555
Wiswesser Line Notation	T6M DMTJ
LabNetwork Molecule ID	LN00159558
InChI	InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
Canonical SMILES	N1CCNCC1

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产品应用

医药中间体，主要用于生产驱肠虫药磷酸哌嗪、枸橼酸哌嗪，以及氟奋及静、强痛定、利福平。六水哌嗪溶于乙醇，加入冰醋酸搅拌冷却即析出乙酸哌嗪，被用于合成激素类药物氢化泼尼松磷酸钠。六水哌嗪与乙酐反应制得驱虫药哌硝噻唑的中间体乙酰哌嗪。

安全信息

Warnings 危化品目录(2015) IRRITANT

Signal word Danger

GHS Symbol

WGK Germany1

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；

Risk Statements

R34 Causes burns 会导致灼伤
R42/43
R52 Harmful to aquatic organisms 对水生生物有害
R52/53
R62 Possible risk of impaired fertility 有削弱生殖能力的危险
R63 Possible risk of harm to the unborn child 可能危害未出生婴儿

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P284 Wear respiratory protection.? 佩戴呼吸保护装置。
P301+P330+P331+P310
P303+P361+P353
P304+P340
P305+P351+P338
P305+P351+P338+P310
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P403+P233
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
H302+H312
H302+H312+H332

Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

RTECSTK7800000

Packing GroupIII

UN Number 2579 UN 2579 8/PG 3 UN2579

Storage condition Store at room temperature {LY} Store at room temperature Store in dark! {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at r

Hazard Codes 8 C,Xn

Hazard Class8

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 7/16/1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   103,414,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1340 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,635,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PBPHAW Progress in Biochemical Pharmacology.  (S. Karger AG, Postfach
   CH-4009 Basel, Switzerland) V.1-    1965-  Volume(issue)/page/year:
   1,542,1965

TYPE OF TEST            : LD50 - Let

Restrict 危险品

其他信息

上游原料:氢氧化铵 --> 乙醇胺 --> 2-氯乙醇 -->
爆炸物危险特性:与空气混
下游产品:1-(3-甲氧基丙基)哌嗪 --> 1-(3-苯基丙基)哌嗪 --> 1-Boc-哌嗪 --> 沙拉沙星 --> 1,4-二(2,2’,2’’-三氯-1-甲酰胺基乙基)哌嗪 --> 1-[5-(三氟甲基)-2-吡啶基]哌嗪 --> 特拉唑嗪 --> 5-(2-(4-(1,2-苯并异噻唑-3-基)-1-哌嗪基)乙基)-6-氯-1,3-二氢-2(1H)-吲哚-2-酮盐酸盐 --> 4-氨基-3-肼基-5-巯基-1,2,4-三氮唑 --> 1-(3-二甲氨基丙基)哌嗪 --> 1,4-双(3-氨基丙基)哌嗪 --> 氯哌噻吨 --> 盐酸氟桂利嗪 --> 1-BOC-哌嗪 --> 1-(2-氯-6-氟苄基)哌嗪 --> 4-哌嗪基苯甲腈 --> 1-丁基哌嗪 --> 1-(4-吡啶甲基)哌嗪 --> 阿莫沙平 --> 1-(1-甲基哌啶-4-基)哌嗪 --> 1-(3-硝基吡啶-2-基)哌嗪 --> 头孢拉宗 --> 维司力农 --> 苄基-1-哌嗪碳酸酯 --> 1-(3-氯苄基)哌嗪 --> 1-(2-氯苄基)哌嗪 --> N-肉桂基哌嗪 --> 3-(哌嗪-1-基)丙腈 --> 1-(2-吡啶-2-基乙基)哌嗪 --> 1-(三氟甲基)-2-吡啶基哌嗪 --> 1.4-吡嗪二甲醛 --> 哌嗪-1-羧酸二甲胺 --> 1-(3-甲基吡啶-2-基)哌嗪
用途二:哌嗪是杀菌剂嗪胺灵(triforine)的中间体，也是重要的医药中间体，主要生产驱蛔药物枸橼酸哌嗪和磷酸哌嗪，以及奋乃静、强痛定、利福平等。
外观性质:无色结晶，具有氨的气味，有强吸湿性。
TCI Shanghai:哌嗪(无水) Piperazine Anhydrous,>;98.0%(GC)(T)(110-85-0)
毒性分级:中毒
类别:腐蚀物品
蒸气压:0.8 mm Hg ( 20 °C)
图谱信息:哌嗪(110-85-0)红外图谱(IR2) 哌嗪(110-85-0)红外图谱(IR1) 哌嗪(110-85-0)核磁图( 1 HNMR) 哌嗪(110-85-0)核磁图( 13 CNMR)
职业标准:TWA 1 毫克/立方米; STEL 5 毫克/立方米
用途三:医药中间体，主要用于生产驱肠虫药磷酸哌嗪、枸橼酸哌
方法二:由氯乙醇经氨化、环合成哌嗪盐酸盐，再用氢氧化钠中和制得六水哌嗪。
下游产品:1-(3-甲氧基丙基)哌嗪 --> 1-(3-苯基丙基)哌嗪 --> 1-Boc-哌嗪 --> 沙拉沙星 --> 1,4-二(2,2’,2’’-三氯-1-甲酰胺基乙基)哌嗪 --> 1-[5-(三氟甲基)-2-吡啶基]哌嗪 --> 特拉唑嗪 --> 5-(2-(4-(1,2-苯并异噻唑-3-基)-1-哌嗪基)乙基)-6-氯-1,3-二氢-2(1H)-吲哚-2-酮盐酸盐 --> 4-氨基-3-肼基-5-巯基-1,2,4-三
灭火剂:雾状水、干粉、二氧化碳、抗醇泡沫
下游产品:1-(3-甲氧基丙基)哌嗪 --> 1-(3-苯基丙基)哌嗪 --> 1-Boc-哌嗪 --> 沙拉沙星 --> 1,4-二(2,2’,2’’-三氯-1-甲酰胺基乙基)哌嗪 --> 1-[5-(三氟甲基)-2-吡啶基]哌嗪 --> 特拉唑嗪 --> 5-(2-(4-(1,2-苯并异噻唑-3-基)-1-哌嗪基)乙基)-6-氯-1,3-二氢-2(1H)-吲哚-2-酮盐酸盐 --> 4-氨基-3-肼基-5-巯基-1,2,4-三氮唑 --> 1-(3-二甲氨基丙基)哌嗪 --> 1,4-双(3-氨基丙基)哌嗪 --> 氯哌噻吨 --> 盐酸氟桂利嗪 --> 1-BOC-哌嗪 --> 1-(2-氯-6-氟苄基)哌嗪 --> 4-哌嗪基苯甲腈 --> 1-丁基哌嗪 --> 1-(4-吡啶甲基)哌嗪 --> 阿莫沙平 --> 1-(1-甲基哌啶-4-基)哌嗪 --> 1-(3-硝基吡啶-2-基)哌嗪 --> 头孢拉宗 --> 维司力农 --> 苄基-1-哌嗪碳酸酯 --> 1-(3-氯苄基)哌嗪 --> 1-(2-氯苄基)