结构式
CAS: 139-85-5
分子式: C7H6O3
分子量: 138.12
中文名称: 3,4-二羟基苯甲醛
原儿茶醛
英文名称: protocatechualdehyde
3,4-dihydroxybenzaldehyde
3,4-dihydroxybenzenecarbonal
性质描述: 淡米色针状结晶（水或甲苯）或灰白色粉末，双晶形。熔点（m.p.）153℃～154℃。K=2.8×10-8(25℃)。易溶于乙醇、丙酮、醋酸乙酯、乙醚和热水，溶于冷水，不溶于苯和氯仿。在水中的溶解度(g/100m1)：5(20℃)；33(99℃)；在乙醇中的溶解度：79(78℃)。有引湿性，在水中易氧化变色。
质量指标
外观 浅灰色结晶性粉末
含量 ≥99%
熔点 153-156℃
水分 <0.5%
色谱条件：流动相：甲醇－1％冰醋酸(10：90)；流速：1．0mL／min；检测波长：279nm （仅供参考）
用途: 一种重要的医药中间体，用于合成多种抗菌素和消炎药物。
原儿茶醛是四季青叶中抗心绞痛的主要有效成分之一，对心血管系统可增加冠脉流量、降低心肌兴奋性和传导性，对急性心肌缺血缺氧所致的心肌损伤具有明显保护作用。早年在治疗烫伤的中草药四季青中提取抗心绞痛的有效成分原儿茶醛，并采用人工合成方法制成治疗冠心病的药物—心电安（原儿茶醛片），一直应用于临床。后又证实丹参中原儿茶醛是起活血化瘀的有效成分之一。
保质期：两年。
其它信息：
Product Identification
【Product Name】Protocatechualdehyde 3,4-二羟基苯甲醛 原儿茶醛
【Synonyms】3,4-Dihydroxybenzaldehyde
【CAS】139-85-5
【Formula】C7H6O3
【Molecular Weight】138.12
【EINECS】205-377-7
【RTECS】UL0380000
【RTECS Class】Other
【Merck】12,8079
【Beilstein/Gmelin】774381
【Beilstein Reference】4-08-00-01762
【EC Class】irritant
Physical and Chemical Properties
【Appearance】Beige to brown.
【Solubility in water】Slightly soluble
【Melting Point】150 - 155
【Boiling Point】295
【Vapor Pressure】0.001 (25 C)
【Density】1.505 g/cm3
【pKa/pKb】7.59 (pKa)
【Partition Coefficient】1.09
【Heat Of Vaporization】55.7 kJ/mol
【Heat Of Combustion】-3100 kJ/mol
First Aid Measures
【Ingestion】If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
【Inhalation】Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
【Skin】Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
【Eyes】Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Handling and Storage
【Storage】Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Handling】Wash thoroughly after handling. Use only in a well ventilated area. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Hazards Identification
【Ingestion】May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
【Inhalation】May cause respiratory tract irritation.
【Skin】May cause skin irritation.
【Eyes】May cause eye irritation.
【EC Risk Phrase】R 36/37/38
【EC Safety Phrase】S 26 36
Exposure Controls/Personal Protection
【Personal Protection】Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure.
【Respirators】Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.
Fire Fighting Measures
【Flash Point】147
【Fire Fighting】Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. To extinguish fire, use water fog, dry chemical, carbon dioxide, or regular foam.
Accidental Release Measures
【Small spills/leaks】Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal.
Stability and Reactivity
【Disposal Code】3
【Stability】Stable under normal temperatures and pressures.
【Incompatibilities】Strong oxidizing agents, strong bases.
【Decomposition】Carbon monoxide, carbon dioxide.
Transport Information
【HS Code】2912 49 00
