6-Bromo-1,3-Benzodioxole-5-Carboxaldehyde 6-溴-1,3-苯并二氧杂环戊二烯-5-甲醛

CAS 15930-53-7 MFCD00022952

化学结构图

15930-53-7
SMILES: O=CC1=CC2OCOC=2C=C1Br

化学属性

Mol. FormulaC8H5BrO3
Mol. Weight229
Melting Point128.0 to 132.0 deg-C
TSCANo
Density1.782

别名和识别编码

Chemical Name6-Bromo-1,3-Benzodioxole-5-Carboxaldehyde
CAS Number15930-53-7
Alfabeta NameBROMOBENZODIOXOLECARBALDEHYDE 6135-----,
MDL NumberMFCD00022952
Synonym 2-Bromo-4,5-methylenedioxybenzaldehyde Benzaldehyde, 2-bromo-4,5-methylenedioxy- 6-溴胡椒醛 6-Bromo-1,3-benzodioxole-5-carboxaldehyde; 2-Bromo-4,5-(methylenedioxy)benzaldehyde; 6-Bromobenzodioxole-5-carboxaldehyde; 6-Bromopiperonal; NSC 15639 6-溴-1,3-苯并二氧杂环戊二烯-5-甲醛 6-Bromo-1,3-benzodioxole-5-carboxaldehyde 6-Bromopiperonal
PubChem Substance ID87559380
Reaxys-RN383965
Beilstein Registry Number19(5)4,232
Chemical Name Translation6-溴-1,3-苯并二氧杂环戊二烯-5-甲醛
Wiswesser Line NotationT56 BO DO CHJ GVH HE
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分类

  • {KO} ReacBromides
  • Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis,
  • {SNA} Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, O-Containing, Organic Building Blocks, Others
  • {KO} Aldehydes
  • {SNA} Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, O-Containing, Organic Building Blocks, Other Halogenated Heterocycles, Other Heterocyclic Building Blocks

相关文献及参考

安全信息

Warnings IRRITANT
WGK Germany3
RTECSTO1576250
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
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
Storage condition Air Sensitive
Hazard Codes Xi
GHS Symbol
Restrict 易制毒化学品 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#06988

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
1
H-bond Donors
0
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Halogenated Heterocycles 卤代杂环
  5. Others - Halogenated Heterocycles
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. P - Alphabetic
  5. PA - PEN - P
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C8 - Aldehydes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Halogenated Heterocycles 卤代杂环
  5. Morpholines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  5. N-Containing
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic aldehyde<including acetal,hemiacetal>

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