CAS 141-82-2 MFCD00002707-Malonic acid 丙二酸 TAO{mole}

Malonic acid 丙二酸

CAS 141-82-2 MFCD00002707

化学结构图

SMILES: O=C(O)CC(=O)O

化学属性

Mol. Formula	C3H4O4
Mol. Weight	104.06 g/mol
Melting Point	132-135°C
Density	1.6
Flash Point	157°(314°F)
TSCA	Yes
Solubility	Soluble in water, alcohol. Moderately soluble in pyridine, ether
Boiling Point	140 °C at 760 mmHg

别名和识别编码

Chemical Name	Malonic acid
Synonym	1,3-Propandisäure 1,3-Propanedioic acid AKOS BBS-00003780 CH2(COOH)2 Carboxyacetic acid DICARBOXYMETHANE Kyselina malonova MAAC MALONIC ACID MALONIC ACID FREE ACID Malonic Acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number	1751370
CAS Number	141-82-2
EC Number	205-503-0
MDL Number	MFCD00002707
Reaxys-RN	1751370
PubChem Substance ID	867
Merck Number	5710
Chemical Name Translation	丙二酸
Wiswesser Line Notation	QV1VQ
LabNetwork Molecule ID	LN00191443
InChI	InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
Canonical SMILES	O=C(O)CC(O)=O

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产品应用

测定铍、铜的络合剂。标准碱溶液的标定。生化研究。有机合成。制造巴比妥盐。气相色谱分析标准。

安全信息

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。
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+P312+
P304+P340
P304+P340+P312
P305+P351+P338
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
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

GHS Symbol

Signal word Danger

Hazard statements

H319 Causes serious eye irritation 严重刺激眼睛
H302 Harmful if swallowed 吞食有害
H318 Causes serious eye damage 严重伤害眼睛

WGK Germany1

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；
S36/37/39 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；
S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护；
S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；

Risk Statements

R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
R22 Harmful if swallowed 吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
R41 Risk of serious damage to eyes 有严重损伤眼睛的危险

RTECSOO0175000

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Hazard Codes Xn

Storage condition Store at RT. Store at room temperature 密封保存

Packing GroupIII

UN Number 3261

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BIOFX* BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets.  (1810
   Frontage Rd., Northbrook, IL 60062)  Volume(issue)/page/year: 22-3/1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >8900 mg/m3/1H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BIOFX* BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets.  (1810
   Frontage Rd., Northbrook, IL 60062)  Volume(issue)/page/year: 22-3/1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   BIJOAK Biochemical Journal.  (Biochemical Soc. Book Depot, POB 32, Commerce
   Way, Colchester, Essex CO2 8HP, UK)  V.1-    1906- Volume(issue)/page/year:
   34,1196,1940

TYPE OF TEST            : LD50 - Lethal do

TYPE OF TEST            : Morphological transformation
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 10080 mg/kg/6W
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 9,387,1988

其他信息

下游产品:3-(3-吡啶基)丙酸 --> 2-乙酰苯甲酸 --> 3-(3-氯苯基)丙酸 --> 3-(4-甲苯)丙酸 --> 3-(1-萘基)丙酸 --> 3-(3-吡啶)丙烯酸 --> 丙位癸内酯 --> 吲唑-3-乙酸 --> 2-
用途三:丙二酸是杀菌剂稻瘟灵的中间体，也是植物生长调节剂吲熟酯的中间体。
用途二:主要
二元酸:丙二酸又称甲烷二羧酸、胡萝卜酸、缩苹果酸、甜菜酸。有3种晶型，其中两个为三斜晶系，一个为单斜晶系。从乙醇中结晶者为三斜晶系白色晶体。相对分子质量104.06。相对密度1.631(15℃)。熔点135.6℃。140℃分解为乙酸及二氧化碳。在1.067×103～1.333×103Pa真空下不分解，而直接升华。不溶于苯，溶于水 61.1(0℃)、73.5(20℃)、92.6(50℃)、乙醇 57(20℃)、乙醚5.7(20℃)，微溶于吡啶。遇高锰酸钾分解为甲酸及二氧化碳。丙二酸为二元酸，具有二元酸的典型反应性，例如丙二酸的亚甲基具有活性，可进行加成、烷基化、胺化、卤化等反应；其两个羧基相距很近，可以脱水；可与醇进行酯化；加热脱羧；与羰基化合物缩合；与含有活泼双键的化合物加成。丙二酸的两个羧基中的羟基全被乙氧基取代（见取代反应）而生成的化合物丙二酸二乙酯,丙二酸二乙酯是重要的有机合成原料，用于染料和药物合成。因分子中含有活泼的亚甲基，可先与醇钠作用生成丙二酸酯钠，再与各种活泼卤代物作用生成取代的丙二酸酯，将它水解失羧可制得各种一元、二元羧酸及其他酮酸等化合物。如将取代的丙二酸酯与尿素反应可制得一种常用催眠药巴比妥。由于丙二酸加热后生成二氧化碳和水，没有污染问题，所以可直接用作铝表面处理剂；也是生产农药杀菌剂富士一号、除草剂枯杀达的原料；医药行业使用丙二酸制备利尿药苯磺唑酮、抗炎药羟苯保泰松、镇静药溴甲辛托品等。此外，丙二酸及其酯类广泛用作医药中间体，如可以制造巴比妥类药物，维生素B1和B6等，丙二酸的酯类常用于有机合成，还用作粘接剂、香料、树脂添加剂、电镀抛光剂、焊接助熔剂等。以上信息由Chemicalbook的晓楠编辑整理。
MOL 文件:141-82-2.mol
用途四:丙二酸及其酯主要用于香料、粘合剂、树脂添加剂、医药中
上游原料:盐酸 --> 丙酮 --> 氰化钠 --> 丙二酸二乙酯 --> 氯乙酸 --> 氯乙酸钠 --> 氰乙酸 --> 二乙酯 --> 丙二酸钠盐一水合 --> 丙二酸钙
Acros Organics:丙二酸 Malonic acid, 99%(141-82-2)
MSDS 信息:丙二酸(141-82-2).msds
丙二酸价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 30111926 丙二酸;胡萝卜酸;甜菜酸;
图谱信息:丙二酸(141-82-2)质谱(MS) 丙二酸(141-82-2)Raman光谱丙二酸(141-82-2)红外图谱(IR1) 丙二酸(1
用途一:用作络合剂，也用于巴比土盐的制备等
Alfa Aesar:马来酸,ReagentGrade,99.5+% Malonic acid, Reagent Grade, 99.5+%(141-82-2)
制备方法:实验室采用氯乙酸为原料，用NaOH或Na2CO3中和生成氯乙酸钠盐，此钠盐与KCN(或NaCN)反应后得α-氰基乙酸钠，再经碱性水解、钙盐置换、酸化后制得丙二酸。化学反应方程式如下：
海关编码:29171910
Sigma Aldrich:141-82-2(sigmaaldrich)
下游产品:3-(3-吡啶基)丙酸 --> 2-乙酰苯甲酸 --> 3-(3-氯苯基)丙酸 --> 3-(4-甲苯)丙酸 --> 3-(1-萘基)丙酸 --> 3-(3
图谱信息:丙二酸(141-82-2)质谱(MS) 丙二酸(141-82-2)Raman光谱丙二酸(141-82-2)红外图谱(IR1) 丙二酸(141-82-2)核磁图( 1 HNMR) 丙二酸(141-82-2)红外图谱(IR2)
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