Basic information
- CAS
4560-41-2- Standard SMILES
O=[N+]([O-])c1ccccc1OCc1ccccc1- InChIKey
ZYWSXGRMDPBISP-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- Benzyl 2-nitrophenyl ether
- IUPAC
- 1-nitro-2-phenylmethoxybenzene
- English name
- Benzyl 2-nitrophenyl ether
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
4560-41-2Benzyl 2-nitrophenyl etherDTXSID30352983RefChem:328438DTXCID703040471-(Benzyloxy)-2-nitrobenzene1-Benzyloxy-2-nitrobenzene1-benzyloxy-2-nitro-benzeneo-Nitrophenyl Benzyl Ether1-nitro-2-phenylmethoxybenzeneMFCD00143680Benzene, 1-nitro-2-(phenylmethoxy)-
Show more names
Benzyl o-Nitrophenyl Ether2-Benzyloxy-1- nitrobenzene
1-nitro-2-(phenylmethoxy)benzene2-benzyloxynitrobenzenebenzyl nitrophenyl ether2-benzyloxy nitrobenzene2-(Benzyloxy)nitrobenzeneSCHEMBL2305236SCHEMBL5506758SCHEMBL5668688
Database identifiers
- CAS
4560-41-2- PubChem CID
- 736266
- DTXSID
DTXSID30352983- Nikkaji
- J996.561K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 29 °C · 29 °C
- Boiling point
- 210 °C · 210 °C(Press: 10 Torr)
- Density
- 1.225 g/mL · 1.225 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.598
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Red
- Hazard Codes
- Xi
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 3 · 3
- F
- 9 · 9
- Hazard Note
- Irritant
- HazardClass
- IRRITANT-HARMFUL
- HS Code
- 2909309090 · 2909309090
Safety & regulation
Safety data
- F
- 9
- wgk
- 3
- hs_code
- 2909309090
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 23-24/25
- hazard_class
- IRRITANT-HARMFUL
Chemistry & industry
Applications
UsesA benzyl phenyl ethers as new HIV-1 inhibitors in vitro.
Upstream & downstream products
Downstream products
Suppliers28 total
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
安徽合诺生物科技有限公司0555-2761852
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
安徽合诺生物科技有限公司18455579438
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海佰安麦材料科技有限公司13656718387 · [email protected]
菏泽丽泽生物科技有限公司10-15853052 15853052030
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
12 records
Compound notes
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