4-Chloro-3-Nitrobenzotrifluoride 4-氯-3-硝基三氟甲苯
CAS 121-17-5 MFCD00007084
化学结构图
SMILES: O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl
化学属性
| Mol. Formula | C7H3ClF3NO2 |
|---|---|
| Mol. Weight | 226 |
| Boiling Point | 222 |
| Density | 1.511 |
| Refractive index | 1.4880 to 1.4920 |
| Flash Point | 101°C(lit.) |
| TSCA | Yes |
| Melting Point | -3° |
| Solubility | 不溶 |
| Appearance | 淡黄色油状液体，有刺激性。相对密度1.511，沸点222℃，折光率1.4890，闪点101℃。 |
别名和识别编码
| Chemical Name | 4-Chloro-3-Nitrobenzotrifluoride |
|---|---|
| CAS Number | 121-17-5 |
| Alfabeta Name | CHLORONITROBENZOTRIFLUORIDE 43--- |
| MDL Number | MFCD00007084 |
| Synonym | 1-Chloro-2-nitro-4-(trifluoromethyl)benzene 1-chloro-2-nitro-4-trifluoromethyl-benzene 2-Chlor-5-(trifluormethyl)-nitrobenzol 2-Chlore-5-trifluoromethyl nitrobenzene 2-Nitro-4-(trifluoromethyl)-1-chlorobenzene 2-氯-5-三氟甲基硝基苯 4-氯-3-硝基-α,α,α-三氟甲苯 CMNT MNT-Cl 3-Nitro-4-chlorotrifluoromethylbenzene 3-nitro-4-chlorotrifluoromethylbenzene 4-Chlor-3-nitro-benzotrifluorid 4-Chlor-α,α,α-trifluor-3-nitrotoluol 4-Chloro-3-nitro-1-(trifluoromethyl)benzene 4-chloro-1-trifluoromethyl-3-nitro-benzene 4-chloro-3-nitro-alpha,alpha,alpha-trifluorotoluene;3-Nitro-4-chlorobenzotrifluoride; 4-chloro-a,a,a-trifluoro-3-nitrotoluene 4-chloro-α,α,α-trifluoro-3-nitrotoluene toluene, 4-chloro-3-nitro-α,α,α-tri {} {} {} {} {} {} {} {} { {} {} {} {} {Ch {} {} {} {} {Chemi {} {} {} |
| EC Number | 204-451-6 |
| Beilstein Registry Number | 523986 |
| PubChem Substance ID | 87565387 |
| Chemical Name Translation | 4-氯-3-硝基三氟甲苯 |
| Reaxys-RN | 523986 |
| Wiswesser Line Notation | WNR BG EXFFF |
| LabNetwork Molecule ID | LN00111306 |
| InChI | InChI=1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
- {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks
相关文献及参考
- Short: III/35D2
- Short: III/20b
- Beilstein: 5,IV,857
安全信息
GHS Symbol
- 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；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- 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
- 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。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- 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。
- P301+P312+P330
- P302+P352+P332+P313+P362+P364
- P305+P351+P338
- P305+P351+P338+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
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H302 Harmful if swallowed 吞食有害
- 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
- H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
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#07616
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1075 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 47(3),88,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 47(3),88,1982
TYPE OF TEST : Unscheduled DNA synthesis TEST SYSTEM : Human Embryo DOSE/DURATION : 1 gm/L REFERENCE : AISSAW Annali dell'Istituto Superiore di Sanita. (Istituto Poligrafico e Zecca dello Stato, Piazza Verdi, 10 Rome, Italy) V.1- 1965- Volume(issue)/page/year: 18,123,1982
其他信息
- 4-氯-3-硝基三氟甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0225 4-氯-3-硝基三氟甲苯 4-Chloro-3-nitrobenzotrifluoride 500G 936元 2014/06/02 C0225 4-氯-3-硝基三氟甲苯 4-Chloro-3-nitrobenzotrifluoride 25G 150元 2010/06/21 109701000 4-氯-3-硝基三氟甲苯 4-Chloro-3-nitrobenzotrifluoride 98% 100 GR 532元
- 毒性分级:高毒
- 储运特性:库房通风低温干燥; 与食品分开储运
- 可燃性危险特性:可燃; 受热分解有毒氯化物及氧化氮气体
- Acros Organics:4-氯-3-硝基三氟甲苯 4-Chloro-3-nitrobenzotrifluoride, 98%(121-17-5)
- 图谱信息:4-氯-3-硝基三氟甲苯(121-17-5)质谱(MS) 4-氯-3-硝基三氟甲苯(121-17-5)核磁图( 1 HNMR) 4-氯-3-硝基三氟甲苯(121-17-5)核磁图( 13 CNMR) 4-氯-3-硝基三氟甲苯(121-17-5)红外图谱(IR1)
- Hazard Note:Toxic
- 急性毒性:口服-大鼠 LD50: 1075 毫克/公斤; 口服-小鼠 LD50: 400 毫克/公斤
- TCI Shanghai:4-氯-3-硝基三氟甲苯 4-Chloro-3-nitrobenzotrifluoride,>;97.0%(GC)(121-17-5)
- Alfa Aesar:4-氯-3-硝基三氟甲苯,98% 4-Chloro-3-nitrobenzotrifluoride, 98%(121-17-5)
- MSDS 信息:3-Nitro-4-chlorobenzotrifluoride(121-17-5).msds
- 海关编码:29049085
- 用途一:用作医药中间体
- Sigma Aldrich:121-17-5(sigmaaldrich)
- 灭火剂:雾状水, 泡沫, 二氧化碳, 砂土, 干粉
- MOL 文件:121-17-5.mol
- 类别:有毒物品
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