Benzylmalonic Acid
Benzylmalonic Acid structure
|
Common Name | Benzylmalonic Acid | ||
|---|---|---|---|---|
| CAS Number | 616-75-1 | Molecular Weight | 194.18400 | |
| Density | 1.34 g/cm3 | Boiling Point | 378.4ºC at 760 mmHg | |
| Molecular Formula | C10H10O4 | Melting Point | 117-120 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 196.8ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Benzylmalonic Acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.34 g/cm3 |
|---|---|
| Boiling Point | 378.4ºC at 760 mmHg |
| Melting Point | 117-120 °C(lit.) |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.18400 |
| Flash Point | 196.8ºC |
| Exact Mass | 194.05800 |
| PSA | 74.60000 |
| LogP | 1.01450 |
| InChIKey | JAEJSNFTJMYIEF-UHFFFAOYSA-N |
| SMILES | O=C(O)C(Cc1ccccc1)C(=O)O |
| Storage condition | Refrigerator |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | OO0525000 |
| HS Code | 2917399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 9 | |
CAS#:607-81-8
CAS#:124-38-9![Benzene, [(1E)-2-bromoethenyl] Structure](https://image.chemsrc.com/caspic/029/588-72-7.png)
CAS#:588-72-7
CAS#:3709-27-1
CAS#:100-39-0
CAS#:100-53-8
CAS#:1867-37-4
CAS#:584-45-2
CAS#:4965-21-3
CAS#:5669-19-2
CAS#:91360-95-1
CAS#:91702-98-6
CAS#:501-52-0
CAS#:3070-71-1
CAS#:102-93-2
CAS#:33244-10-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2917399090 |
|---|---|
| Summary | 2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) deh...
Source: ChEMBL
Target: C-terminal-binding protein 2
External Id: CHEMBL3804623
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|
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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|
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00004261 |
| 2-benzylpropanedioic acid |
| EINECS 210-491-5 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of Benzylmalonic Acid? |
| A: InChIKey of Benzylmalonic Acid is JAEJSNFTJMYIEF-UHFFFAOYSA-N. |
| Q: What is the English name of Benzylmalonic Acid? |
| A: The English name of Benzylmalonic Acid is Benzylmalonic Acid. |
| Q: What is the LogP of Benzylmalonic Acid? |
| A: LogP of Benzylmalonic Acid is 1.01450. |
| Q: What is the polar surface area (PSA) of Benzylmalonic Acid? |
| A: Polar surface area (PSA) of Benzylmalonic Acid is 74.60000. |
| Q: What are the storage conditions for Benzylmalonic Acid? |
| A: Storage conditions for Benzylmalonic Acid: Refrigerator. |
| Q: What is the SMILES notation of Benzylmalonic Acid? |
| A: SMILES notation of Benzylmalonic Acid is O=C(O)C(Cc1ccccc1)C(=O)O. |
| Q: What is the safety information for Benzylmalonic Acid? |
| A: Safety information for Benzylmalonic Acid: S26-S36. |
| Q: What is the boiling point of Benzylmalonic Acid? |
| A: Boiling point of Benzylmalonic Acid is 378.4ºC at 760 mmHg. |
| Q: What are the upstream materials of Benzylmalonic Acid? |
| A: Related upstream materials(CAS) of Benzylmalonic Acid: 607-81-8;124-38-9;588-72-7;3709-27-1;100-39-0;100-53-8;1867-37-4;584-45-2;4965-21-3. |
| Q: What is the CAS number of Benzylmalonic Acid? |
| A: CAS number of Benzylmalonic Acid is 616-75-1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |