6-氯-2H-1,4-苯并噁嗪-3(4H)-酮 | 7652-29-1
6-氯-2H-1,4-苯并噁嗪-3(4H)-酮
6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one
7652-29-1
C8H6NO2Cl
183.59174
名称和标识符
MDL |
MFCD00174511 |
InChIKey |
OBPIPKQQNRACHV-UHFFFAOYSA-N |
Inchi |
InChI=1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11) |
SMILES |
ClC1=CC=2NC(COC2C=C1)=O |
别名信息
- 中文别名 -
- 6-氯-2H-1,4-苯并噁嗪-3(4H)-酮
- 6-氯-(2H)-1,4-苯并恶嗪-3(4H)-酮
- 英文别名 -
- 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one
- 2H-1,4-Benzoxazin-3(4H)-one,6-chloro-
- 6-Chloro-2H-1,4-Benzoxazin-3(4H)-One
- 6-chloro-4H-1,4-benzoxazin-3-one
- 6-Chloro-3-oxo-2,3-dihydro-1,4-benzoxazine
- 6-Chloro-4H-benzo[1,4]oxazin-3-one
- NSC 211462
- 6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one
- SCHEMBL302933
- SCHEMBL302933
- 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-
- 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-
- 3W-0227
- 3W-0227
- SR-01000581561
- SR-01000581561
- BB 0242146
- BB 0242146
- KJU
- DTXSID00309247
- KJU
- Z57515847
- DTXSID00309247
- AKOS000273137
- Z57515847
- 6-chloro-2,4-dihydro-1,4-benzoxazin-3-one
- AKOS000273137
- EU-0030123
- 6-chloro-2,4-dihydro-1,4-benzoxazin-3-one
- 6-chloro-4H-1,4-benzoxazin-3-one
- 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one
- EU-0030123
- EN300-18356
- 6-chloro-4H-1,4-benzoxazin-3-one
- 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one
- 6-Chloro-(2H)-1,4-benzoxazin-3(4H)-one
- EN300-18356
- MFCD00174511
- 6-Chloro-(2H)-1,4-benzoxazin-3(4H)-one
- OBPIPKQQNRACHV-UHFFFAOYSA-N
- MFCD00174511
- 7652-29-1
- OBPIPKQQNRACHV-UHFFFAOYSA-N
- A838733
- 7652-29-1
- AE-641/01183042
- A838733
- AB04397
- AE-641/01183042
- FT-0636544
- AB04397
- 6-Chloro-2H-1,4-benzoxazin-3(4H)-one, 97%
- FT-0636544
- J-518517
- 6-Chloro-2H-1,4-benzoxazin-3(4H)-one, 97%
- F0486-2347
- J-518517
- 6-chloro-2h-benzo[b][1,4]oxazin-3(4h)-one
- F0486-2347
- 6-chloro-benzo[1,4]oxazin-3-one
- SY079752
- 6-chloro-2h-benzo[b][1,4]oxazin-3(4h)-one
- 6-Chloro-2H-1,4-benzoxazin-3(4H)-one
- 6-chloro-benzo[1,4]oxazin-3-one
- NSC-211462
- SY079752
- CCG-34241
- 6-Chloro-2H-1,4-benzoxazin-3(4H)-one
- CS-0085228
- NSC-211462
- Q27461989
- CCG-34241
- NSC211462
- CS-0085228
- SR-01000581561-1
- Q27461989
- NSC211462
- SR-01000581561-1
物化性质
实验特性
LogP |
1.80890 |
PSA |
38.33000 |
折射率 |
1.578 |
沸点 |
363°C at 760 mmHg |
熔点 |
215-219 °C |
闪点 |
173.3°C |
溶解度 |
微溶 (1.3 g/L) (25 ºC), |
密度 |
1.393±0.06 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
183.00900 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
0 |
同位素质量 |
183.009 |
重原子数量 |
12 |
复杂度 |
198 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
1.5 |
拓扑分子极性表面积 |
38.3A^2 |
海关数据
海关编码 |
2934999090 |
海关数据 |
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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