丙二酸钠 (HCID 8865)

概述

Sodium malonate is the organic sodium salt formed between sodium and malonic acid (molar ratio 2:1). It contains a malonate(2-).

名称与标识

首选名称: Malonic acid, disodium salt
IUPAC: disodium;propanedioate
中文名: 丙二酸钠
英文名: Malonic acid disodium salt
分子式: C3H2Na2O4
分子量: 148.03

名称与别名

Malonic acid, disodium saltRefChem:135058Sodium malonateDisodium malonate141-95-7Malonic acid disodium saltdisodium propanedioatedisodium;propanedioatePROPANEDIOIC ACID, DISODIUM SALTPropanedioic acid, sodium salt (1:2)MALONICACIDDISODIUMSALTMFCD00002708

展开更多名称

丙二酸盐丙二酸钠丙二酸钠盐马来酸二钠丙二酸二钠丙二酸二钠盐缩水苹果酸钠无水丙二酸钠丙二酸钠盐一水丙二酸钠盐一水合Malonic Acid SodiumSODIUM MALONITESodiumpropanedioateDisodiumMalonate>disodium:propanedioatemalonicacid,sodiumsaltPropanedioic acid, sodiuM

Sodium malonate dibasicMalonic acid, sodium saltPropanedioic acid, sodium salt9QWE64M39H23549-97-5CHEMBL359504EINECS 205-514-0UNII-9QWE64M39H

数据库标识

CAS: 141-95-7、23549-97-5
PubChem CID: 8865
DTXSID: DTXSID8059712
ChEMBL: CHEMBL359504
ChEBI: CHEBI:62983
UNII: 9QWE64M39H
EC Number: 205-514-0、923-174-8
Nikkaji: J22.511H

性质

结构计算性质

极性表面积: 80.3 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 72.1

实验与物化性质

Chemical ClassesMetals -> Organic Acids, Metal Salts

Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]

物理化学性质

密度: 2.08 g/cm3 · 2.08 g/cm3
溶解度: 2 O: · H2O: 1 M at 20 °C, clear, colorless
形态: Powder
颜色: White to Almost white
PH值: pH (50g/l, 25℃) : 8.0～10.0
水溶解性: Soluble in water (148 g/L at 20°C).
BRN: 3917013 · 3917013
稳定性: Stable. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C3H4O4.2Na/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2
InChIKey: PRWXGRGLHYDWPS-UHFFFAOYSA-L
SMILES: C([O-])(=O)CC([O-])=O.[Na+].[Na+]
CAS 数据库: 141 · 141-95-7(CAS DataBase Reference)
EPA化学物质信息: Propanedioic acid, disodium salt (141-95-7)

化学性质

白色结晶。可溶于水，不溶于醇、醚和苯。

安全与法规

GHS分类

GHS Classification · 3 条

This chemical does not meet GHS hazard criteria for 100% (22 of 22) of all reports.

Not Classified

Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory.

危害信息

Regulatory Information · 2 条

Chemical: Propanedioic acid, disodium salt

Propanedioic acid, disodium salt: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Propanedioic acid, disodium salt: Human health tier I assessment

Hazards SummaryCauses convulsions, cardiac changes, and lung changes in intraperitoneal and intravenous lethal-dose studies of mice (intraperitoneal LD50 = 1,550 mg/kg); [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See Malonic acid.

Hazard Classes and CategoriesNot Classified

安全数据

wgk: 3
tsca: TSCA listed
毒性: mouse,LD50,intraperitoneal,1550mg/kg (1550mg/kg),LUNGS, THORAX, OR RESPIRATION: OTHER CHANGESBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDCARDIAC: OTHER CHANGES,Archives Internationales de Pharmacodynamie et de Therapie. Vol. 79, Pg. 461, 1949.
RTECS号: OO1750000
存储类别: 11 - Combustible Solids
安全说明: 22-24/25
海关编码: 2917.19.7050

化学与工业

用途与制造

General Manufacturing InformationPropanedioic acid, sodium salt (1:2): ACTIVE

应用领域 · 3 条

用途医药、染料和香料的原料。丙二酸钠与丁醇酯化得到丙二酸二丁酯，用于生产磺胺-6-甲氧嘧啶；与乙醇酯化得到丙二酸二乙酯，用于生产催眠药巴比妥；也用于生产增效联磺。

用途用于有机合成

用途丙二酸钠可用于医药工业。

制备方法

生产方法可由丙二酸与氢氧化钠溶液中和而得。工业生产常将氯乙酸与氰化钠反应，生成氰乙酸，然后再经液碱作用得到丙二酸钠。将氯乙酸溶解于水中，在15℃以下用饱和碳酸钠溶液中和至pH7.0，然后于45℃加入氰化钠溶液，于105-110℃反应30min，加入45-55%氢氧化钠，在100-105℃反应1.5h，溶液浓缩干燥得丙二酸钠。