4-nitrobenzylbromide
4-nitrobenzylbromide structure
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Common Name | 4-nitrobenzylbromide | ||
|---|---|---|---|---|
| CAS Number | 100-11-8 | Molecular Weight | 216.032 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 304.2±17.0 °C at 760 mmHg | |
| Molecular Formula | C7H6BrNO2 | Melting Point | 98 °C | |
| MSDS | Chinese USA | Flash Point | 137.8±20.9 °C | |
| Symbol |
GHS05 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-nitrobenzyl bromide |
|---|---|
| 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 | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 304.2±17.0 °C at 760 mmHg |
| Melting Point | 98 °C |
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 216.032 |
| Flash Point | 137.8±20.9 °C |
| Exact Mass | 214.958176 |
| PSA | 45.82000 |
| LogP | 2.65 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.612 |
| InChIKey | VOLRSQPSJGXRNJ-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1ccc(CBr)cc1 |
| Stability | Stable. Incomaptible with bases, amines, oxidizing agents, alcohols. May be moisture sensitive. Corrodes steel. |
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
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | C:Corrosive |
| Risk Phrases | R34 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| RTECS | XS7967000 |
| Packaging Group | II |
| Hazard Class | 8 |
| HS Code | 29049085 |
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 10 | |
CAS#:619-73-8
CAS#:631-61-8
CAS#:558-13-4
CAS#:555-16-8
CAS#:99-99-0
CAS#:619-75-0
CAS#:14856-73-6
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CAS#:1058649-42-5
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CAS#:108049-92-9
CAS#:1012-18-6![2-methyl-4-nitro-1-[(4-nitrophenyl)methyl]imidazole structure](https://image.chemsrc.com/caspic/378/107108-25-8.png)
CAS#:107108-25-8
CAS#:456-42-8
CAS#:555-21-5
CAS#:4403-71-8
CAS#:142599-44-8![1-methoxy-3-[2-(4-nitrophenyl)ethenyl]benzene structure](https://image.chemsrc.com/caspic/445/14064-58-5.png)
CAS#:14064-58-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2904909090 |
|---|---|
| Summary | HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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A case of multiple sensitization to three halogeno-substituted mono-nitrobenzenes.
Ital. Gen. Rev. Dermatol. 15(2) , 107-12, (1978) A case of occupational contact dermatitis in a female chemical pharmaceutical laboratory researcher is described. The allergological investigation revealed a state of sensitization to three mono-nitro... |
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Synthesis of p, p'-divinylazobenzene.
Di Yi Jun Yi Da Xue Xue Bao 23(3) , 273-6, (2003) To synthesize p, p'-divinylazobenzene (DVAB).Wittig reagent was initially synthesized using P-nitrobenzyl bromide and triphenylphosphine, followed by reaction with formaldehyde to produce p-nitro styr... |
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Allergic contact dermatitis from para-nitrobenzyl bromide.
Contact Dermatitis 38(4) , 232, (1998)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| α-Bromoparanitrotoluene |
| 1-(Bromomethyl)-4-nitrobenzene |
| α-Bromo-4-nitrotoluene |
| α-Bromo-p-nitrotoluene |
| 4-nitrobenzylbromide |
| MFCD00007373 |
| EINECS 202-820-6 |
| 4-Nitrobenzyl bromide |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of 4-nitrobenzyl bromide? |
| A: Related upstream materials(CAS) of 4-nitrobenzyl bromide: 619-73-8;631-61-8;558-13-4;555-16-8;99-99-0;619-75-0;14856-73-6;6971-51-3;1058649-42-5. |
| Q: What is the LogP of 4-nitrobenzyl bromide? |
| A: LogP of 4-nitrobenzyl bromide is 2.65. |
| Q: What is the molecular weight of 4-nitrobenzyl bromide? |
| A: Molecular weight of 4-nitrobenzyl bromide is 216.032. |
| Q: What is the SMILES notation of 4-nitrobenzyl bromide? |
| A: SMILES notation of 4-nitrobenzyl bromide is O=[N+]([O-])c1ccc(CBr)cc1. |
| Q: What is the polar surface area (PSA) of 4-nitrobenzyl bromide? |
| A: Polar surface area (PSA) of 4-nitrobenzyl bromide is 45.82000. |
| Q: What is the English name of 4-nitrobenzyl bromide? |
| A: The English name of 4-nitrobenzyl bromide is 4-nitrobenzyl bromide. |
| Q: What is the molecular formula of 4-nitrobenzyl bromide? |
| A: Molecular formula of 4-nitrobenzyl bromide is C7H6BrNO2. |
| Q: What is the CAS number of 4-nitrobenzyl bromide? |
| A: CAS number of 4-nitrobenzyl bromide is 100-11-8. |
| Q: What is the safety information for 4-nitrobenzyl bromide? |
| A: Safety information for 4-nitrobenzyl bromide: S26-S36/37/39-S45. |
| Q: What is the melting point of 4-nitrobenzyl bromide? |
| A: Melting point of 4-nitrobenzyl bromide is 98 °C. |
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. |