4-Bromo-2-Hydroxybenzaldehyde 4-溴-2-羟基苯甲醛

CAS 22532-62-3 MFCD06252606

化学结构图

22532-62-3
SMILES: OC1=CC(Br)=CC=C1C=O

化学属性

Mol. FormulaC7
Mol. Weight201
Melting Point51.0 to 55.0 deg-C
Flash Point>110°(230°F)
TSCANo

别名和识别编码

Chemical Name4-Bromo-2-Hydroxybenzaldehyde
CAS Number22532-62-3
Alfabeta NameBROMOHYDROXYBENALDEHYDE 42---
MDL NumberMFCD06252606
Synonym 4-溴-2-羟基苯甲醛 2-Hydroxy-4-bromobenzaldehyde 4-Bromo-2-hydroxybenzaldehyde 4-溴水杨醛
PubChem Substance ID125308059
Chemical Name Translation4-溴-2-羟基苯甲醛
Reaxys-RN2433855
LabNetwork Molecule IDLN00004071
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分类

  • Intermediates
  • Aromatics
  • {KO} Aldehydes
  • {KO} ArylOHs
  • {SNA} Aldehydes, Building Blocks, C7, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

产品应用

  • 4-Bromosalicylaldehyde is a substituted salicylaldehyde used in the synthesis of BIIB042, a ?-secretase modulator.

相关文献及参考

  • Klopfenstein, S., et al.: Tetrahedron Lett., 41, 4835 (2000),
  • Sugiyama, S., et al.: Chem. Pharm. Bull., 53, 100 (2005),

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
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
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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；
  • S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护；
  • S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染；
  • 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；
Hazard Codes Xn,N
Risk Statements
  • R50 Very toxic to aquatic organisms 对水生生物极毒
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Packing GroupIII
UN Number UN3077

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
2
Rotatable Bonds
1
H-bond Donors
1
LogP
2

系列性分类

  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. C7 - Aldehydes
  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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