UNII:O3K54IBV7F
UNII:O3K54IBV7F structure
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Common Name | UNII:O3K54IBV7F | ||
|---|---|---|---|---|
| CAS Number | 923-06-8 | Molecular Weight | 196.984 | |
| Density | 2.0±0.1 g/cm3 | Boiling Point | 255.1±25.0 °C at 760 mmHg | |
| Molecular Formula | C4H5BrO4 | Melting Point | 161-163 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 108.1±23.2 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: Bromosuccinic acid (Chinese name: 溴代丁二酸) is a white powder with CAS number 923-06-8 and molecular formula C4H5BrO4, with a molecular weight of 196.984. The melting point is 161-163 °C, and the boiling point is 255.1±25.0 °C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | bromosuccinic 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 | 2.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 255.1±25.0 °C at 760 mmHg |
| Melting Point | 161-163 °C(lit.) |
| Molecular Formula | C4H5BrO4 |
| Molecular Weight | 196.984 |
| Flash Point | 108.1±23.2 °C |
| Exact Mass | 195.937119 |
| PSA | 74.60000 |
| LogP | 0.60 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.558 |
| InChIKey | QQWGVQWAEANRTK-UHFFFAOYSA-N |
| SMILES | O=C(O)CC(Br)C(=O)O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319 |
| Precautionary Statements | 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 | 1759 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 8 |
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 10 | |
|---|---|
| DownStream 9 | |
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CAS#:44978-42-9This table lists relevant public references with title, journal and publication metadata for this compound.
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Contact dermatitis from alpha-bromomethylparotolylsulfone.
Contact Dermatitis 33(2) , 130, (1995)
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Membrane transport of conjugated and unconjugated bile acids into hepatocytes is susceptible to SH-blocking reagents.
Biochim. Biophys. Acta 1029(1) , 1-12, (1990) The present study indicates that SH-groups are essential for the uptake of [3H]taurocholate and [14C]cholate into isolated rat hepatocytes. Several sulfhydryl-modifying reagents viz. p-chloromercuribe... |
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Modification of three active site lysine residues in the catalytic subunit of aspartate transcarbamylase by D- and L-bromosuccinate.
J. Biol. Chem. 257(3) , 1312-9, (1982)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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: Inhibition Assay from Article 10.1080/14756360109162375: "Glycosylasparaginase inhibi...
Source: BindingDB
Target: N/A
External Id: BindingDB_5215_1
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Monobromosuccinic acid |
| (±)-bromosuccinic acid |
| UNII:O3K54IBV7F |
| Bromosuccinic acid |
| DL-bromosuccinic acid |
| Bromobutanedioic acid |
| MFCD00004213 |
| 2-bromobutanedioic acid |
| 2-Bromosuccinic acid |
| EINECS 213-087-7 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for bromosuccinic acid? |
| A: Safety information for bromosuccinic acid: S26-S36. |
| Q: What is the melting point of bromosuccinic acid? |
| A: Melting point of bromosuccinic acid is 161-163 °C(lit.). |
| Q: What is the English name of bromosuccinic acid? |
| A: The English name of bromosuccinic acid is bromosuccinic acid. |
| Q: What is the molecular weight of bromosuccinic acid? |
| A: Molecular weight of bromosuccinic acid is 196.984. |
| Q: What English synonyms does bromosuccinic acid have? |
| A: English synonyms of bromosuccinic acid: Monobromosuccinic acid, (±)-bromosuccinic acid, UNII:O3K54IBV7F, Bromosuccinic acid, DL-bromosuccinic acid, Bromobutanedioic acid, MFCD00004213, 2-bromobutanedioic acid, 2-Bromosuccinic acid, EINECS 213-087-7. |
| Q: What is the LogP of bromosuccinic acid? |
| A: LogP of bromosuccinic acid is 0.60. |
| Q: What is the polar surface area (PSA) of bromosuccinic acid? |
| A: Polar surface area (PSA) of bromosuccinic acid is 74.60000. |
| Q: What is the molecular formula of bromosuccinic acid? |
| A: Molecular formula of bromosuccinic acid is C4H5BrO4. |
| Q: What is the CAS number of bromosuccinic acid? |
| A: CAS number of bromosuccinic acid is 923-06-8. |
| Q: What is the SMILES notation of bromosuccinic acid? |
| A: SMILES notation of bromosuccinic acid is O=C(O)CC(Br)C(=O)O. |
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. |