HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2777044Generated: October 30, 2026
2,4,5-Trifluorobenzylamine
(2,4,5-Trifluorophenyl)methylamine · Benzenemethanamine, 2,4,5-trifluoro- · 1-(2,4,5-TRIFLUOROPHENYL)METHANAMINE · Benzenemethanamine, 2,4,5-trifluoro- (9CI) · (2,4,5-trifluorophenyl)methanamine - [AC80911]
https://huagongshe.com/en/chemical/2777044
Identifiers & Physical Properties
| CAS No. | 168644-93-7 |
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| Molecular formula | C7H6F3N |
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| Average molar mass | 161.12 g/mol |
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| Monoisotopic mass | 161.04523368 g/mol |
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| SMILES | NCc1cc(F)c(F)cc1F |
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| InChIKey | BLJQJQNRXILVTA-UHFFFAOYSA-N |
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| PubChem CID | 2777044 |
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| EC No. | 671-906-7 |
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| DTXSID | DTXSID30380347 |
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Chemical & Physical Properties
| XLogP | 1.1 |
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| Topological polar surface area | 26 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 131 |
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| Melting point | 274-275℃ |
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| Boiling point | 55°C/1mm |
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| Density | 1.320 |
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| Flash point | 55°C/1mm |
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| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
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| pKa (acidity coefficient) | 8.32±0.10(Predicted) |
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| Physical state | liquid |
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| Color | Clear, colourless |
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| Sensitivity | Air Sensitive |
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| CAS DataBase Reference | 168644-93-7 |
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| GHS pictogram | GHS05 |
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| Signal word | Danger |
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| GHS hazard statements | H314-H318 |
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| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a |
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| Hazard symbols | Xi |
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| UN transport number | UN2735 |
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| Hazard class | 8 |
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| Packing group | III |
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| Customs code | 2921490090 |
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| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
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| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
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Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| UN transport number | UN2735 |
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| Customs code | 2921490090 |
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| Signal word | Danger |
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| GHS pictogram | GHS05 |
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| Hazard symbols | Xi |
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| Hazard class | 8 |
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| Packing group | III |
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| GHS hazard statements | H314-H318 |
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| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
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| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
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| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a |
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