Cas no 67245-85-6 (bis(4-Nitrobenzyl)malonate)
bis(4-Nitrobenzyl)malonate structure
Product Name:bis(4-Nitrobenzyl)malonate
CAS No:67245-85-6
MF:C17H14N2O8
MW:374.301664829254
MDL:MFCD00191671
CID:965654
PubChem ID:87573142
Update Time:2025-04-19
bis(4-Nitrobenzyl)malonate Chemical and Physical Properties
Names and Identifiers
-
- Bis(4-nitrobenzyl) Malonate
- Malonic Acid Bis(p-nitrobenzyl)Ester
- bis[(4-nitrophenyl)methyl] propanedioate
- Malonic Acid Bis(4-nitrobenzyl) Ester
- NSC229411
- RBVOYZBIDZCDBO-UHFFFAOYSA-N
- VZ32461
- di(4-nitrophenyl)methyl propane-1,3-dioate
- M1181
- ST51045903
- A835679
- propanedioic acid bis[(4-nitrophenyl)methyl] ester
- FT-0641111
- Malonic acid bis(4-nitrobenzyl)ester
- bis(4-nitrobenzyl)malonate
- SCHEMBL1555636
- MFCD00191671
- CS-0454760
- DTXSID40310630
- AKOS024390648
- 67245-85-6
- D91459
- NSC-229411
- 1,3-BIS[(4-NITROPHENYL)METHYL] PROPANEDIOATE
- DB-055001
- bis(4-Nitrobenzyl)malonate
-
- MDL： MFCD00191671
- Inchi： 1S/C17H14N2O8/c20-16(26-10-12-1-5-14(6-2-12)18(22)23)9-17(21)27-11-13-3-7-15(8-4-13)19(24)25/h1-8H,9-11H2
- InChI Key： RBVOYZBIDZCDBO-UHFFFAOYSA-N
- SMILES： O(C(CC(=O)OCC1C=CC(=CC=1)[N+](=O)[O-])=O)CC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 374.07500
- Monoisotopic Mass: 374.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 492
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 144
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.8
Experimental Properties
- Color/Form: 。
- Density: 1.422
- Melting Point: 87.0 to 91.0 deg-C
- Boiling Point: 544.2°C at 760 mmHg
- Flash Point: 227.9°C
- Refractive Index: 1.606
- PSA: 144.24000
- LogP: 3.72610
- Solubility: 。
- Vapor Pressure: 0.0±1.5 mmHg at 25°C
bis(4-Nitrobenzyl)malonate Security Information
-
Symbol:
- Prompt：warning
- Signal Word：warning
- Hazard Statement： H315-H319-H341
- Warning Statement： P201-P202-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P308+P313-P405-P501
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
bis(4-Nitrobenzyl)malonate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B861979-5g |
Bis(4-nitrobenzyl) Malonate |
67245-85-6 | ≥98%(HPLC)(T) | 5g |
￥588.60 | 2022-09-02 | |
| TRC | B505080-50mg |
bis(4-Nitrobenzyl)malonate |
67245-85-6 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B505080-100mg |
bis(4-Nitrobenzyl)malonate |
67245-85-6 | 100mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B505080-500mg |
bis(4-Nitrobenzyl)malonate |
67245-85-6 | 500mg |
$ 95.00 | 2022-06-07 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B153070-1g |
bis(4-Nitrobenzyl)malonate |
67245-85-6 | 98% | 1g |
￥209.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B153070-5G |
bis(4-Nitrobenzyl)malonate |
67245-85-6 | 98% | 5g |
￥598.90 | 2023-09-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | M1181-5g |
bis(4-Nitrobenzyl)malonate |
67245-85-6 | 98.0%(LC&T) | 5g |
￥620.0 | 2022-06-10 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B861979-1g |
Bis(4-nitrobenzyl) Malonate |
67245-85-6 | ≥98%(HPLC)(T) | 1g |
￥232.20 | 2022-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B153070-250mg |
bis(4-Nitrobenzyl)malonate |
67245-85-6 | 98% | 250mg |
￥82.90 | 2023-09-04 | |
| 1PlusChem | 1P003OQG-5g |
MALONIC ACID BIS(4-NITROBENZYL) ESTER |
67245-85-6 | 98% | 5g |
$97.00 | 2025-02-20 |
bis(4-Nitrobenzyl)malonate Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
67245-85-6 (bis(4-Nitrobenzyl)malonate) Related Products
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- 87884-37-5(Propanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-2-methyl-, ethyl ester, (R)-)
- 58265-86-4(bis(4-nitrobenzyl) butanedioate)
- 75321-09-4(Magnesium 4-Nitrobenzyl Malonate Hydrate)
- 57609-63-9(1,3-Propanediol,1,3-bis(4-nitrobenzoate))
- 77359-11-6(3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid)
- 61312-84-3(4-Nitrobenzyl acetoacetate)
- 119613-13-7(Butanoic acid,(3-nitrophenyl)methyl ester)
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