CAS 544-13-8 MFCD00001970-Glutaronitrile 戊二腈 TAO{mole}

Glutaronitrile 戊二腈

CAS 544-13-8 MFCD00001970

化学结构图

SMILES: N#CCCCC#N

化学属性

Mol. Formula	C5H6N2
Mol. Weight	94
Refractive index	1.4340 to 1.4370
Density	0.995
Flash Point	112°(234°F)
TSCA	Yes
Boiling Point	285-287
Melting Point	-29
Solubility	可溶

别名和识别编码

Chemical Name	Glutaronitrile
MDL Number	MFCD00001970
CAS Number	544-13-8
Reaxys-RN	1738385
Merck Number	4474
Beilstein Registry Number	2,635
PubChem Substance ID	10994
Synonym	Pyrotartaric acid nitrile Pentanedinitrile Glutaric dinitrile Pentanedinitrlie 1,3-二氰基丙烷 1,3-Dicyanopropane; Pentanedinitrile 1,3-PROPANEDICARBONITRILE TRIMETHYLENE CYANIDE Glutaronitrile TRIMETHYLENE DICYANIDE 1,3-Dicyanopopane. 1,3-TRIMETHYLENEDINITRILE PENTANEDINITRILE Glutaronitrile,99% glutaricaciddinitrile GLUTARONITRILE Trimethylenedicyamide 1,3-二氰丙烷戊二腈 pyrotartaricacidnitrile 1,3-Dicyanopropane Glutaric acid dinitrile Glutaronitrle Glutarodinitrile 1,3-DICYANOPROPANE 戊二腈，1，3-二氰基丙烷
EC Number	208-861-6
Chemical Name Translation	戊二腈
Wiswesser Line Notation	NC3CN
LabNetwork Molecule ID	LN01742404
InChI	InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2

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安全信息

RTECSYI3500000

UN Number 2810 3276 UN 2810 6.1/PG 3 UN3276

Signal word Danger

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
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。
P301+P310
P301+P310+P330
P302+P352
P302+P352+P332+P313+P362+P364
P304+P312
P304+P340
P305+P351+P338
P305+P351+P338+P337+P313
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P332+P313
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H301 Toxic if swallowed 吞食有毒
H312 Harmful in contact with skin 皮肤接触有害
H312+H332
H332 Harmful if inhaled 吸入有害

Risk Statements

R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害

Safety Statements

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 Wear suitable protective clothing 穿戴适当的防护服；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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；

Storage condition Hygroscopic

GHS Symbol

WGK Germany3

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Codes 6.1 Xn

Packing GroupIII

Hazard Class6.1

Warnings 危化品目录(2015) 危险化学品

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 18 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 3,77,1897

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Bird - pigeon
DOSE/DURATION           : 1200 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - nausea or vomiting
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 3,77,1897

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 3,77,1897

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - nausea or vomiting
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume

其他信息

外观性质:无色或浅黄色液体。
可燃性危险特性:明火可燃; 燃烧释放有毒氮氧化物烟雾
Sigma Aldrich:544-13-8(sigmaaldrich)
用途一:用于有机合成。
灭火剂:干粉、泡沫、二氧化碳、砂土。
Acros Organics:戊二腈 Glutaronitrile, 99%(544-13-8)
F:3-10
Alfa Aesar:戊二腈,99% Glutaronitrile, 99%(544-13-8)
戊二腈价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 K4973001 戊二腈purum＞98％ 25ml 430元 2011/04/16 G0072 戊二腈 Glutaronitrile 25G 721元 2011/04/16 G0072 戊二腈 Glutaronitrile 250G 3660元
毒性分级:高毒
方法一:由二溴丙烷与氰化钠反应而得。将氰化钠溶于水，加入二溴丙烷的乙醇，冷却，滤去沉淀。将母液用乙酸乙酯提出取，用水洗涤提取液。经碳酸钾干燥后回收乙酸乙酯，剩余物进行减压蒸馏，收集144-147℃（1.73kPa）馏分即为成品，收率约80%。
上游原料:1,2-二溴丙烷
图谱信息:戊二腈(544-13-8)Raman光谱戊二腈(544-13-8)核磁图( 13 CNMR) 戊二腈(544-13-8)质谱(MS) 戊二腈(544-13-8)核磁图( 1 HNMR) 戊二腈(544-13-8)红外图谱(IR1)
TCI Shanghai:戊二腈 Glutaronitrile,>;96.0%(GC)(544-13-8)
敏感性:Hygroscopic
下游产品:戊二酸 --> 1,5-二氨基戊烷 --> 戊二酸二乙酯
储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
急性毒性:口服-小鼠 LD50: 266 毫克/公斤
MSDS 信息:戊二腈(544-13-8).msds
MOL 文件:544-13-8.mol
类别:有毒物品