1,1,1,2,2,3,3-Heptachloropropane 1,1,1,2,2,3,3-七氯丙烷
CAS 594-89-8 MFCD00000847
化学结构图
SMILES: ClC(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
化学属性
| Mol. Formula | C3HCl7 |
|---|---|
| Mol. Weight | 285.19 |
| Boiling Point | 247°C |
| Melting Point | 29-30 °C(lit.) |
| Flash Point | 29 °C |
| Appearance | 白色结晶。熔点29.4℃，沸点247-248℃，132℃（4.0kPa）。 |
别名和识别编码
| Chemical Name | 1,1,1,2,2,3,3-Heptachloropropane |
|---|---|
| Synonym | {uni_hamburg} Propane, 1,1,1,2,2,3,3-heptachloro- 1,1,1,2,2,3,3-HEPTACHLOROPROPANE 99% Asym-heptachloropropane propane, 1,1,1,2,2,3,3-heptachloro- 1,1,1,2,2,3,3-HEPTACHLOROPROPANE unsym-Heptachloropropane 1,1,2,2,3,3,3-heptachloropropane 1,1,1,2,2,3,3-HEPTACHLOROPROPANE PESTANA 1,1,1,2,2,3,3-heptachloropropane 1,1,1,2,2,3,3-七氯丙烷 propane,1,1,1,2,2,3,3-heptachloro- 1,1,1,2,2,3,3-Heptachlorpropan 1,1,1,2,2,3,3-氯丙烷 |
| MDL Number | MFCD00000847 |
| CAS Number | 594-89-8 |
| PubChem Substance ID | 11677 |
| Beilstein Registry Number | 1(4)205 |
| EC Number | 209-856-1 |
| Chemical Name Translation | 1,1,1,2,2,3,3-七氯丙烷 |
| Reaxys-RN | 1748917 |
| InChIKey | YFIIENAGGCUHIQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C3HCl7/c4-1(5)2(6,7)3(8,9)10/h1H |
| LabNetwork Molecule ID | LN01742471 |
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分类
- {SNA} Alkyl, Building Blocks, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
- {uni_hamburg} no charge; 1fragment
相关文献及参考
- Short: II/25C Title: Structure Data Of Free Polyatomic Molecules: Molecules containing Three or Four Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25C Year: 2001 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-66774-1 ISBN: 978-3-540-66774-2 Internet Resource: DOI:10.1007/b71431 RefComment: VIII, 481 pages. Hardcover Abstract: This volume contains data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc.) of free polyatomic molecules including free radicals and molecular ions. This survey on structure data is made of four subvolume, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this third subvolume, the structure of molecules containing three for four carbon atoms are listed.
- Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Dat
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。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- P273 Avoid release to the environment. 避免释放到环境中。
- 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。
- P302+P352
- P304+P340
- P305+P351+P338
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- P337+P313
- 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
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
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
- H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Signal word
Warning
Hazard Codes
Xi
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 Wear suitable protective clothing 穿戴适当的防护服；
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
UN Number
2811
其他信息
- 上游原料:三氯化铝 --> 四氯乙烯
- TCI Shanghai:1,1,1,2,2,3,3-七氯丙烷 1,1,1,2,2,3,3-Heptachloropropane,>;98.0%(GC)(594-89-8)
- 下游产品:六氯丙烯
- 用途一:用于有机合成。
- 方法一:166g（1mol）四氯乙烯、300g干燥的氯仿（2.5mol）及27g（0.2mol）无水三氯化铝的混合物加热回流15h，冷却分层，取有机层水洗、干燥，常压蒸馏回收氯仿，减压蒸馏收集110-113℃（1.33kPa）馏分，得成品250-266g，收率88-93%。
- 图谱信息:1,1,1,2,2,3,3-七氯丙烷(594-89-8)红外图谱(IR2) 1,1,1,2,2,3,3-七氯丙烷(594-89-8)Raman光谱 1,1,1,2,2,3,3-七氯丙烷(594-89-8)质谱(MS) 1,1,1,2,2,3,3-七氯丙烷(594-89-8)红外图谱(IR1) 1,1,1,2,2,3,3-七氯丙烷(594-89-8)核磁图( 13 CNMR)
- MOL 文件:594-89-8.mol
- Sigma Aldrich:594-89-8(sigmaaldrich)
- 1,1,1,2,2,3,3-七氯丙烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0015 1,1,1,2,2,3,3-七氯丙烷 1,1,1,2,2,3,3-Heptachloropropane 25G 865元
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