CAS 3934-87-0 MFCD00016610-3,4-Dihydroxy-5-methoxybenzaldehyde 3,4-二羟基-5-甲氧基苯甲醛 TAO{mole}

3,4-Dihydroxy-5-methoxybenzaldehyde 3,4-二羟基-5-甲氧基苯甲醛

CAS 3934-87-0 MFCD00016610

化学结构图

SMILES: COc1cc(C=O)cc(O)c1O

化学属性

Mol. Formula	C8H8O4
Mol. Weight	168.15
Melting Point	131-134 °C
Boiling Point	339.9±37.0 °C at 760 mmHg

别名和识别编码

Chemical Name	3,4-Dihydroxy-5-methoxybenzaldehyde
MDL Number	MFCD00016610
PubChem Substance ID	24870141
CAS Number	3934-87-0
EC Number	223-513-3
Synonym	5-Hydroxyvanillin {LY} 5-Hydroxyvanillin {} {LY} 5-Hydroxyvanillin {} {} {LY} 5-Hydroxyvanillin {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Hydroxyvanillin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation	3,4-二羟基-5-甲氧基苯甲醛
Wiswesser Line Notation	VHR CQ DQ EO1
Beilstein Registry Number	1956546
InChIKey	RRKMWVISRMWBAL-UHFFFAOYSA-N
LabNetwork Molecule ID	LN00225292
Canonical SMILES	O=CC1=CC(OC)=C(C(O)=C1)O

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安全信息

WGK Germany3

GHS Symbol

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。
P305+P351+P338

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

Hazard Codes Xi

RTECSCU5620000

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

Signal word Warning

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；
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；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 650 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 7,178,1964

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro

其他信息

上游原料:铜 --> 香兰素 --> 5-溴香兰素
MOL 文件:3934-87-0.mol
Sigma Aldrich:3934-87-0(sigmaaldrich)
用途一:联苯双酯的中间体。
方法一:用香兰醛以溴素溴化，生成5-溴香兰醛，将后者与氢氧化钠溶液在铜粉参与下反应制得该品。