1-(2-Fluorophenyl)methanamine
1-(2-Fluorophenyl)methanamine structure
|
Common Name | 1-(2-Fluorophenyl)methanamine | ||
|---|---|---|---|---|
| CAS Number | 89-99-6 | Molecular Weight | 125.144 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 185.9±0.0 °C at 760 mmHg | |
| Molecular Formula | C7H8FN | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 67.2±0.0 °C | |
| Symbol |
GHS05 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Fluorobenzylamine |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 185.9±0.0 °C at 760 mmHg |
| Molecular Formula | C7H8FN |
| Molecular Weight | 125.144 |
| Flash Point | 67.2±0.0 °C |
| Exact Mass | 125.064079 |
| PSA | 26.02000 |
| LogP | 1.14 |
| Vapour Pressure | 0.7±0.3 mmHg at 25°C |
| Index of Refraction | 1.523 |
| InChIKey | LRFWYBZWRQWZIM-UHFFFAOYSA-N |
| SMILES | NCc1ccccc1F |
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 |
GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive |
| Risk Phrases | R20/21/22;R34 |
| Safety Phrases | S26-S27-S36/37/39-S45 |
| RIDADR | UN 2735 8/PG 2 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2921420090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~97%
1-(2-Fluorophen... CAS#:89-99-6 |
| Literature: Takamizawa; Wakasa; Fuchikami Synlett, 2001 , # 10 p. 1623 - 1625 |
|
~57%
1-(2-Fluorophen... CAS#:89-99-6 |
| Literature: Organic Letters, , vol. 4, # 12 p. 2055 - 2058 |
|
~%
1-(2-Fluorophen... CAS#:89-99-6 |
| Literature: Journal of Medicinal Chemistry, , vol. 49, # 21 p. 6197 - 6208 |
|
~%
1-(2-Fluorophen... CAS#:89-99-6 |
| Literature: Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 15, p. 386 - 387 |
|
~%
1-(2-Fluorophen... CAS#:89-99-6 |
| Literature: Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 15, p. 386 - 387 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 10 | |
CAS#:64382-80-5![9-[(2-fluorophenyl)methyl]-N,N-dimethylpurin-6-amine structure](https://image.chemsrc.com/caspic/475/101154-86-3.png)
CAS#:101154-86-3
CAS#:177263-77-3
CAS#:1747-80-4
CAS#:1747-46-2
CAS#:704-98-3![3-[(2-fluorophenyl)methyl]-2-phenylpyrido[2,3-d]pyrimidin-4-one structure](https://image.chemsrc.com/caspic/456/832738-78-0.png)
CAS#:832738-78-0![N-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-c]pyridin-4-amine structure](https://image.chemsrc.com/caspic/209/87035-14-1.png)
CAS#:87035-14-1![3-[(2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-1-methylthiourea structure](https://image.chemsrc.com/caspic/137/61290-72-0.png)
CAS#:61290-72-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921499090 |
|---|---|
| Summary | 2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
|
Synthesis and structure-activity relationships of spirohydantoin-derived small-molecule antagonists of the melanin-concentrating hormone receptor-1 (MCH-R1).
Bioorg. Med. Chem. Lett. 17 , 2171-2178, (2007) The design, synthesis, and SAR of a series of substituted spirohydantoins are described. Optimization of an in-house screening hit gave compounds that exhibited potent binding affinity and functional ... |
|
|
9-(2-Fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride. Synthesis and anticonvulsant activity.
J. Med. Chem. 29(7) , 1133-4, (1986)
|
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Inhibition of phenylethanolamine N-methyltransferase(PNMT)activity
Source: ChEMBL
Target: Phenylethanolamine N-methyltransferase
External Id: CHEMBL821668
|
|
Name: Activity of human SSAO measured as hydrogen peroxide production at 1 mM relative to b...
Source: ChEMBL
Target: Membrane primary amine oxidase
External Id: CHEMBL853855
|
|
Name: Activity of mouse SSAO measured as hydrogen peroxide production at 100 uM relative to...
Source: ChEMBL
Target: Membrane primary amine oxidase
External Id: CHEMBL855551
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| o-Fluorobenzylamine |
| 1-(2-Fluorophenyl)methylamine |
| MFCD00008107 |
| 1-(2-Fluorophenyl)methanamine |
| Z1R BF |
| (2-Fluorophenyl)methanamine |
| EINECS 201-957-9 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 2-Fluorobenzylamine? |
| A: SMILES notation of 2-Fluorobenzylamine is NCc1ccccc1F. |
| Q: What is the molecular formula of 2-Fluorobenzylamine? |
| A: Molecular formula of 2-Fluorobenzylamine is C7H8FN. |
| Q: What is the boiling point of 2-Fluorobenzylamine? |
| A: Boiling point of 2-Fluorobenzylamine is 185.9±0.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 2-Fluorobenzylamine? |
| A: Polar surface area (PSA) of 2-Fluorobenzylamine is 26.02000. |
| Q: What is the safety information for 2-Fluorobenzylamine? |
| A: Safety information for 2-Fluorobenzylamine: S26-S27-S36/37/39-S45. |
| Q: What is the molecular weight of 2-Fluorobenzylamine? |
| A: Molecular weight of 2-Fluorobenzylamine is 125.144. |
| Q: What are the downstream products of 2-Fluorobenzylamine? |
| A: Related downstream products(CAS) of 2-Fluorobenzylamine: 446-52-6;64382-80-5;101154-86-3;177263-77-3;1747-80-4;1747-46-2;704-98-3;832738-78-0;87035-14-1;61290-72-0. |
| Q: What are the upstream materials of 2-Fluorobenzylamine? |
| A: Related upstream materials(CAS) of 2-Fluorobenzylamine: 394-47-8;446-52-6;446-48-0;95-52-3. |
| Q: What is the InChIKey of 2-Fluorobenzylamine? |
| A: InChIKey of 2-Fluorobenzylamine is LRFWYBZWRQWZIM-UHFFFAOYSA-N. |
| Q: What is the CAS number of 2-Fluorobenzylamine? |
| A: CAS number of 2-Fluorobenzylamine is 89-99-6. |
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. |