N-Benzyl-2-chloroacetamide Ｎ－苄基-2-氯乙酰胺
CAS 2564-06-9 MFCD00084929
化学结构图
SMILES: O=C(CCl)NCc1ccccc1
化学属性
| Mol. Formula | C9H10ClNO |
|---|---|
| Mol. Weight | 184 |
| Melting Point | 93-96 °C(lit.) |
别名和识别编码
| Chemical Name | N-Benzyl-2-chloroacetamide |
|---|---|
| CAS Number | 2564-06-9 |
| Alfabeta Name | BENZYLCHLOROACETAMIDE N2--- |
| MDL Number | MFCD00084929 |
| PubChem Substance ID | 96233 |
| Synonym | N-Benzylchloroacetamide N-BENZYL-2-CHLORO-ACETAMIDE Acetamide, 2-chloro-N-(phenylmethyl)- 2-Chloro-N-(phenylmethyl)acetamide AKOS B029210 n-benzyl-2-chloro-acetamid N-(Chloroacetyl)benzylamine n-benzylchloroacetamide N1-Benzyl-2-chloroacetamide (Chloroacetylaminomethyl)benzene ACETAMIDE, 2-CHLORO-N-(PHENYLMETHYL)- 2-Chloro-N-benzylacetamide; N-Chloroacetylbenzylamine 2-chloro-n-(phenylmethyl)acetamide N-苄基-2-氯乙酰胺 2-chloro-n-(phenylmethyl)-acetamid 2-CHLORO-N-BENZYLACETAMIDE N-BENZYL-2-CHLOROACETAMIDE AKOS BBS-00000751 BUTTPARK 80\07-98 N-CHLOROACETYLBENZYLAMINE |
| Chemical Name Translation | Ｎ－苄基-2-氯乙酰胺 |
| InChIKey | SRAXAXHQMCQHSH-UHFFFAOYSA-N |
| Beilstein Registry Number | 2091813 |
| LabNetwork Molecule ID | LN00132875 |
| InChI | InChI=1S/C9H10ClNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12) |
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分类
- {SNA} Amides, Building Blocks, C8 to C20+, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
- {KO} ReacChlorides
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 290 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARPMAS Archiv der Pharmazie (Weinheim, Germany) (VCH Pub., Inc., 303 NW 12th Ave., Deerfield Beach, FL 33441) V.51-261, 1835-1923; V.305- 1972- Volume(issue)/page/year: 306,310,1973
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 2 mg/plate REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 172,29,1986
- H302 Harmful if swallowed 吞食有害
- H315 Causes skin irritation 会刺激皮肤
- H318 Causes serious eye damage 严重伤害眼睛
- 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
- 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。
- 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。
- 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
- P302+P352
- P304+P340
- P305+P351+P338
- P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
- 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）。
- P330 Rinse mouth. 漱口
- 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.....
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
1
Rotatable Bonds
3
H-bond Donors
1
LogP
1
其他信息
- Hazard Note:Irritant
- MOL 文件:2564-06-9.mol
- Sigma Aldrich:2564-06-9(sigmaaldrich)
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