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Cas Database |
| Name |
2-Bromobenzotrifluoride |
EINECS | 206-879-9 |
| CAS No. | 392-83-6 | Density | 1.617 g/cm3 |
| PSA | 0.00000 | LogP | 3.46790 |
| Solubility | N/A | Melting Point |
149.3-149.6 °C(Solv: ethyl acetate (141-78-6)) |
| Formula | C7H4BrF3 | Boiling Point | 167.5 °C at 760 mmHg |
| Molecular Weight | 225.008 | Flash Point | 51.7 °C |
| Transport Information | UN 1993 3/PG 3 | Appearance | clear colorless to brown liquid |
| Safety | 16-26-36-37/39 | Risk Codes | 10-36/38-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi,  F
|
| Synonyms |
o-Bromobenzotrifluoride;Toluene, alpha,alpha,alpha-trifluoro-2-bromo-;2-Brombenzotrifluorid [Czech];1-bromo-2-(trifluoromethyl)benzene;Benzene, 1-bromo-2-(trifluoromethyl)-;o-Bromobenzyltrifluoride;2-Bromo-alpha,alpha,alpha-trifluorotoluene;o-(Trifluoromethyl)bromobenzene;o-bromo trifluorotoluene;2-Bromo Trifluoromethyl Benzene;2/o-Bromotrifluoromethyl benzene;2-Bromobenzo trifluoride;2-bromo-α,α,α-trifluorotoluene;2-bromotrifluoromethylbenzene; |
Article Data | 23 |
2-Bromobenzotrifluoride Chemical Properties
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IUPAC Name: 1-Bromo-2-(trifluoromethyl)benzene
Canonical SMILES: C1=CC=C(C(=C1)C(F)(F)F)Br
InChI: InChI=1S/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey: RWXUNIMBRXGNEP-UHFFFAOYSA-N
Molecular Weight: 225.00587 [g/mol]
Molecular Formula: C7H4BrF3
XLogP3: 3.6
H-Bond Donor: 0
H-Bond Acceptor: 3
EINECS: 206-879-9
Product Categories: Trifluoromethylbenzene serise; Fluorobenzene; Aromatic Halides (substituted); API intermediates; Miscellaneous; Bromine Compounds; Fluorine Compounds; Trifluoromethyl-benzene series
storage temp.: Flammables area
Index of Refraction: 1.471
Molar Refractivity: 38.92 cm3
Molar Volume: 139.1 cm3
Surface Tension: 26.2 dyne/cm
Density: 1.617 g/cm3
Flash Point: 51.7 °C
Enthalpy of Vaporization: 38.74 kJ/mol
Boiling Point: 167.5 °C at 760 mmHg
Vapour Pressure: 2.24 mmHg at 25 °C
Appearance: clear colorless to brown liquid
Classification Code of 2-Bromobenzotrifluoride (CAS NO.392-83-6): Skin / Eye Irritant
2-Bromobenzotrifluoride Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,32. | ||
| 2. | eye-rbt 500 mg/24H MOD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,32. | ||
| 3. | orl-rat LD50:2720 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,32.
|
2-Bromobenzotrifluoride Consensus Reports
Reported in EPA TSCA Inventory.
2-Bromobenzotrifluoride Safety Profile
Moderately toxic by ingestion. A skin and eye irritant. When heated to decomposition it emits very toxic fumes of Br− and F−.
Hazard Codes 
Xi,
F
Risk Statements: 10-36/38-36/37/38
R10:Flammable.
R36/38:Irritating to eyes and skin.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36-37/39
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 1993 3/PG 3
WGK Germany: 2
RTECS: XS7980000
Hazard Note: Flammable
HazardClass: 3
PackingGroup: III
2-Bromobenzotrifluoride Specification
2-Bromobenzotrifluoride (CAS NO.392-83-6), its Synonyms are Benzene, 1-bromo-2-(trifluoromethyl)- ; Toluene, alpha,alpha,alpha-trifluoro-2-bromo- ; o-(Trifluoromethyl)bromobenzene ; o-Bromobenzotrifluoride ; o-Bromobenzyltrifluoride ; 2-Bromo-alpha,alpha,alpha-trifluorotoluene ; Toluene, o-bromo-alpha,alpha,alpha-trifluoro- .
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