2-Bromo-N,N-dimethylaniline structure
|
Common Name | 2-Bromo-N,N-dimethylaniline | ||
|---|---|---|---|---|
| CAS Number | 698-00-0 | Molecular Weight | 200.076 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 225.9±23.0 °C at 760 mmHg | |
| Molecular Formula | C8H10BrN | Melting Point | N/A | |
| MSDS | Chinese | Flash Point | 90.4±22.6 °C | |
| Symbol |
GHS06, GHS08, GHS09 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Bromo-N,N-dimethylaniline |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 225.9±23.0 °C at 760 mmHg |
| Molecular Formula | C8H10BrN |
| Molecular Weight | 200.076 |
| Flash Point | 90.4±22.6 °C |
| Exact Mass | 198.999649 |
| PSA | 3.24000 |
| LogP | 3.46 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.587 |
| InChIKey | ONMSBNJJCUCYED-UHFFFAOYSA-N |
| SMILES | CN(C)c1ccccc1Br |
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 |
GHS06, GHS08, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301 + H311 + H331-H319-H351-H373-H410 |
| Precautionary Statements | P261-P273-P280-P301 + P310-P305 + P351 + P338-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | UN2810 - class 6.1 - PG 3 - EHS - Toxic, liquids, organic, n.o.s., HI: all |
| WGK Germany | 3 |
| HS Code | 2921420090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~93%
2-Bromo-N,N-dim... CAS#:698-00-0 |
| Literature: Organic Letters, , vol. 11, # 22 p. 5130 - 5133 |
|
~3%
2-Bromo-N,N-dim... CAS#:698-00-0
Learn More
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| Literature: Synthetic Communications, , vol. 30, # 20 p. 3669 - 3675 |
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~%
2-Bromo-N,N-dim... CAS#:698-00-0 |
| Literature: Heterocycles, , vol. 46, # 1 p. 77 - 81 |
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~82%
2-Bromo-N,N-dim... CAS#:698-00-0 |
| Literature: Dalton Transactions, , vol. 40, # 35 p. 8906 - 8911 |
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~%
2-Bromo-N,N-dim... CAS#:698-00-0 |
| Literature: Journal of the American Chemical Society, , vol. 109, # 26 p. 8056 - 8066 |
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~98%
2-Bromo-N,N-dim... CAS#:698-00-0 |
| Literature: Journal fuer Praktische Chemie/Chemiker-Zeitung, , vol. 336, # 4 p. 333 - 339 |
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~%
2-Bromo-N,N-dim... CAS#:698-00-0 |
| Literature: Journal of the American Chemical Society, , vol. 109, # 26 p. 8056 - 8066 |
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~%
2-Bromo-N,N-dim... CAS#:698-00-0
Learn More
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| Literature: Synthetic Communications, , vol. 34, # 12 p. 2143 - 2152 |
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~%
2-Bromo-N,N-dim... CAS#:698-00-0 |
| Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 79, p. 977 - 1001 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921420090 |
|---|---|
| Summary | HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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: 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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Bromo-N,N-dimethylaniline |
| MFCD00013522 |
| 2-bromo-N,N-dimethylbenzenamine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-Bromo-N,N-dimethylaniline? |
| A: Polar surface area (PSA) of 2-Bromo-N,N-dimethylaniline is 3.24000. |
| Q: What is the molecular weight of 2-Bromo-N,N-dimethylaniline? |
| A: Molecular weight of 2-Bromo-N,N-dimethylaniline is 200.076. |
| Q: What is the InChIKey of 2-Bromo-N,N-dimethylaniline? |
| A: InChIKey of 2-Bromo-N,N-dimethylaniline is ONMSBNJJCUCYED-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 2-Bromo-N,N-dimethylaniline? |
| A: SMILES notation of 2-Bromo-N,N-dimethylaniline is CN(C)c1ccccc1Br. |
| Q: What is the LogP of 2-Bromo-N,N-dimethylaniline? |
| A: LogP of 2-Bromo-N,N-dimethylaniline is 3.46. |
| Q: What are the upstream materials of 2-Bromo-N,N-dimethylaniline? |
| A: Related upstream materials(CAS) of 2-Bromo-N,N-dimethylaniline: 615-36-1;74-88-4;121-69-7;50-00-0;77-78-1;698-02-2. |
| Q: What is the molecular formula of 2-Bromo-N,N-dimethylaniline? |
| A: Molecular formula of 2-Bromo-N,N-dimethylaniline is C8H10BrN. |
| Q: What are the downstream products of 2-Bromo-N,N-dimethylaniline? |
| A: Related downstream products(CAS) of 2-Bromo-N,N-dimethylaniline: 1072901-09-7;22608-37-3;89291-23-6;224311-49-3;579-72-6;5339-18-4;121-69-7;100-66-3;108-88-3;2836-03-5. |
| Q: What is the CAS number of 2-Bromo-N,N-dimethylaniline? |
| A: CAS number of 2-Bromo-N,N-dimethylaniline is 698-00-0. |
| Q: What is the English name of 2-Bromo-N,N-dimethylaniline? |
| A: The English name of 2-Bromo-N,N-dimethylaniline is 2-Bromo-N,N-dimethylaniline. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |