Introduction：Basic information about CAS 725-89-3|3,5-Bis(trifluoromethyl)benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,5-Bis(trifluoromethyl)benzoic acid |
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| CAS Number | 725-89-3 | Molecular Weight | 258.117 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 223.9±40.0 °C at 760 mmHg |
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| Molecular Formula | C9H4F6O2 | Melting Point | 142-143 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 89.2±27.3 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 3,5-Bis(trifluoromethyl)benzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 223.9±40.0 °C at 760 mmHg |
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| Melting Point | 142-143 °C(lit.) |
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| Molecular Formula | C9H4F6O2 |
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| Molecular Weight | 258.117 |
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| Flash Point | 89.2±27.3 °C |
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| Exact Mass | 258.011536 |
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| PSA | 37.30000 |
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| LogP | 4.28 |
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| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
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| Index of Refraction | 1.424 |
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| InChIKey | HVFQJWGYVXKLTE-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DG4448020
- CHEMICAL NAME :
- Benzoic acid, 3,5-bis(trifluoromethyl)-
- CAS REGISTRY NUMBER :
- 725-89-3
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H4-F6-O2
- MOLECULAR WEIGHT :
- 258.13
- WISWESSER LINE NOTATION :
- FXFFR CVQ EXFFF
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1020,1968
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi:Irritant |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36-S37/39 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | DG4448020 |
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| HS Code | 2916399090 |
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Customs
| HS Code | 2916399090 |
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| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| einecs 211-970-1 |
| 3,5-Di(trifluoromethyl)benzoic acid |
| Benzoic acid, 3,5-bis(trifluoromethyl)- |
| 3,5-Bis(trifluoromethyl)benzoic acid |
| MFCD00000388 |
| FXFFR CVQ EXFFF |
| mbt-boa |
| 3,5-bis(trifluoromethyl)benzoicacid |
