2-fluoro-4-methyl-aniline
2-fluoro-4-methyl-aniline structure
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Common Name | 2-fluoro-4-methyl-aniline | ||
|---|---|---|---|---|
| CAS Number | 452-80-2 | Molecular Weight | 125.144 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 196.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C7H8FN | Melting Point | 3 °C | |
| MSDS | Chinese USA | Flash Point | 79.4±0.0 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Fluoro-4-Methylaniline |
|---|---|
| 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 | 196.5±0.0 °C at 760 mmHg |
| Melting Point | 3 °C |
| Molecular Formula | C7H8FN |
| Molecular Weight | 125.144 |
| Flash Point | 79.4±0.0 °C |
| Exact Mass | 125.064079 |
| PSA | 26.02000 |
| LogP | 1.73 |
| Vapour Pressure | 0.4±0.3 mmHg at 25°C |
| Index of Refraction | 1.542 |
| InChIKey | ZQEXBVHABAJPHJ-UHFFFAOYSA-N |
| SMILES | Cc1ccc(N)c(F)c1 |
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 |
GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H311-H315-H319-H331-H335 |
| Precautionary Statements | P261-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 | T:Toxic; |
| Risk Phrases | R23/24/25;R36/37/38 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | XU6650000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2921430090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
2-fluoro-4-meth... CAS#:452-80-2 |
| Literature: Ostaszynski Bl.Soc.Sci.Lett.Lodz, 1952 , vol. <3>3, # 15 p. 6 |
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~93%
2-fluoro-4-meth... CAS#:452-80-2 |
| Literature: Ji, Pengju; Atherton, John H.; Page, Michael I. Journal of Organic Chemistry, 2012 , vol. 77, # 17 p. 7471 - 7478 |
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~%
2-fluoro-4-meth... CAS#:452-80-2 |
| Literature: Tomcufcik,A.S.; Seeger,D.R. Journal of Organic Chemistry, 1961 , vol. 26, p. 3351 - 3356 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 10 | |
CAS#:452-81-3
CAS#:452-79-9
CAS#:18349-09-2
CAS#:27018-16-2
CAS#:85070-67-3
CAS#:518070-28-5
CAS#:122509-72-2
CAS#:326-67-0
CAS#:146137-80-6
CAS#:366-45-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921430090 |
|---|---|
| Summary | HS:2921430090 toluidines 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.
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Synthesis of chiral building blocks for use in drug discovery.
Molecules 9(6) , 405-26, (2004) In the past decade there has been a significant growth in the sales of pharmaceutical drugs worldwide, but more importantly there has been a dramatic growth in the sales of single enantiomer drugs. Th... |
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Rat liver microsomal metabolism of 2-halogenated 4-methylanilines.
Xenobiotica 22(12) , 1403-23, (1992) 1. Rat liver microsomal metabolism of 2-fluoro-, 2-chloro- and 2-bromo-4-methylaniline was investigated using h.p.l.c. Metabolites identified include products from side-chain C-hydroxylation (benzyl a... |
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Indoline derivatives as 5-HT(2C) receptor agonists.
Bioorg. Med. Chem. Lett. 14 , 2367-2370, (2004) A series of 1-(1-indolinyl)-2-propylamines was synthesised and evaluated as 5-HT(2C) receptor agonists for the treatment of obesity. The general methods of synthesis of the precursor indoles are descr... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Amino-3-fluorotoluene |
| 2-Fluoro-4-methylaniline |
| 2-Fluoro-4-methyaniline |
| ZR BF D1 |
| MFCD00040975 |
| EINECS 259-564-3 |
| 2-Fluoro-4-methylbenzenamine |
| 2-Fluoro-p-toluidine |
| 2-fluoro-4-methyl-aniline |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 2-Fluoro-4-Methylaniline? |
| A: Boiling point of 2-Fluoro-4-Methylaniline is 196.5±0.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 2-Fluoro-4-Methylaniline? |
| A: InChIKey of 2-Fluoro-4-Methylaniline is ZQEXBVHABAJPHJ-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 2-Fluoro-4-Methylaniline? |
| A: Related upstream materials(CAS) of 2-Fluoro-4-Methylaniline: 446-34-4;452-74-4;352-70-5. |
| Q: What is the melting point of 2-Fluoro-4-Methylaniline? |
| A: Melting point of 2-Fluoro-4-Methylaniline is 3 °C. |
| Q: What is the polar surface area (PSA) of 2-Fluoro-4-Methylaniline? |
| A: Polar surface area (PSA) of 2-Fluoro-4-Methylaniline is 26.02000. |
| Q: What is the molecular weight of 2-Fluoro-4-Methylaniline? |
| A: Molecular weight of 2-Fluoro-4-Methylaniline is 125.144. |
| Q: What is the LogP of 2-Fluoro-4-Methylaniline? |
| A: LogP of 2-Fluoro-4-Methylaniline is 1.73. |
| Q: What English synonyms does 2-Fluoro-4-Methylaniline have? |
| A: English synonyms of 2-Fluoro-4-Methylaniline: 4-Amino-3-fluorotoluene, 2-Fluoro-4-methylaniline, 2-Fluoro-4-methyaniline, ZR BF D1, MFCD00040975, EINECS 259-564-3, 2-Fluoro-4-methylbenzenamine, 2-Fluoro-p-toluidine, 2-fluoro-4-methyl-aniline. |
| Q: What is the SMILES notation of 2-Fluoro-4-Methylaniline? |
| A: SMILES notation of 2-Fluoro-4-Methylaniline is Cc1ccc(N)c(F)c1. |
| Q: What are the downstream products of 2-Fluoro-4-Methylaniline? |
| A: Related downstream products(CAS) of 2-Fluoro-4-Methylaniline: 452-81-3;452-79-9;18349-09-2;27018-16-2;85070-67-3;518070-28-5;122509-72-2;326-67-0;146137-80-6;366-45-0. |
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. |