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725-89-3

725-89-3 structure
725-89-3 structure

Name 3,5-Bis(trifluoromethyl)benzoic acid
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
Density 1.5±0.1 g/cm3
Boiling Point 223.9±40.0 °C at 760 mmHg
Melting Point 142-143 °C(lit.)
Molecular Formula C9H4F6O2
Molecular Weight 258.117
Flash Point 89.2±27.3 °C
Exact Mass 258.011536
PSA 37.30000
LogP 4.28
Vapour Pressure 0.1±0.5 mmHg at 25°C
Index of Refraction 1.424

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 DATA

ACUTE 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
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant
Risk Phrases R36/37/38
Safety Phrases S26-S36-S37/39
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DG4448020
HS Code 2916399090

~94%

725-89-3 structure

725-89-3

Literature: Leazer Jr., Johnnie L.; Cvetovich, Raymond; Tsay, Fuh-Rong; Dolling, Ulf; Vickery, Thomas; Bachert, Donald Journal of Organic Chemistry, 2003 , vol. 68, # 9 p. 3695 - 3698

~84%

725-89-3 structure

725-89-3

Literature: MITSUBISHI GAS CHEMICAL COMPANY, INC. Patent: EP1500641 A1, 2005 ; Location in patent: Page 9 ;

~13%

725-89-3 structure

725-89-3

Literature: Chemistry - A European Journal, , vol. 4, # 7 p. 1281 - 1286

~82%

725-89-3 structure

725-89-3

Literature: Kethe, Anila; Tracy, Adam F.; Klumpp, Douglas A. Organic and Biomolecular Chemistry, 2011 , vol. 9, # 12 p. 4545 - 4549

~%

725-89-3 structure

725-89-3

Literature: Journal of Organic Chemistry, , vol. 68, # 9 p. 3695 - 3698

~%

Detail
Literature: Tetrahedron, , vol. 55, # 4 p. 909 - 918
HS Code 2916399090
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%