3,4-Dihydro-2H-1,4-Benzoxazine 3,4-二氢-2H-1,4-苯并噁嗪

CAS 5735-53-5 MFCD02181098

化学结构图

5735-53-5
SMILES: c1ccc2c(c1)NCCO2

化学属性

Mol. FormulaC8H9NO
Mol. Weight135.16
Melting PointBP: 85 @ 1 mBar
TSCANo
Boiling Point250.6°C at 760 mmHg
Density
Refractive index1.5950 to 1.5990

别名和识别编码

Chemical Name3,4-Dihydro-2H-1,4-Benzoxazine
CAS Number5735-53-5
Alfabeta Namedihydrobenzoxazine
MDL NumberMFCD02181098
Synonym Benzomorpholine {LY} Benzomorpholine {} {LY} Benzomorpholine {} {} {LY} Benzomorpholine {} {} {} {LY} Benzomorpholine {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzomorpholine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzom
Chemical Name Translation3,4-二氢-2H-1,4-苯并噁嗪
EC Number
Beilstein Registry Number
LabNetwork Molecule IDLN00002355
PubChem Substance ID585096
Reaxys-RN3918
InChIInChI=1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9H,5-6H2
Canonical SMILESC12=CC=CC=C1NCCO2
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分类

  • {KO} AminesSecondaryHeteroNH
  • {SNA} Benzoxazines, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks

安全信息

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；
  • S37 Wear suitable gloves 戴适当手套；
  • 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；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
WGK Germany3
Signal word Warning
Hazard Codes Xn
UN Number
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。
  • P403 Store in a well-ventilated place. 储存在通风良好的地方。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P302+P352+P332+P313+P362+P364
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338+P337+P313
  • P302
  • P305 IF IN EYES: 如果进入眼睛
  • P403+P235
RTECS
Packing Group
Hazard statements
  • H227 Combustible liquid 可燃液体
Storage condition RT, protect from light {LY} RT, protect from light {} {LY} RT, protect from light {} {} {LY} RT, protect from light {} {} {} {LY} RT, protect from light {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect

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 Donors
1
H-bond Acceptors
1
Rotatable Bonds
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. Benzoxazines 苯恶嗪

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