Identification and Related Records
- 【CAS Registry number】
- 407-14-7
- 【Synonyms】
-
P-bromotrifluoromethoxybenzene
4-bromotrifluoromethoxybenzene
p-Bromo (Trifluoromethoxy)Benzene
4-(Trifluoromethoxy)-bromobenzene
1-Bromo-4(trifluoromethoxy) benzene
4-(Trifluoromethoxy)bromobenzene
- 【EINECS(EC#)】
- 206-979-2
- 【Molecular Formula】
- C7H4BrF3O (Products with the same molecular formula)
407-14-7.mol
Chemical and Physical Properties
- 【Storage temp】
- Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
- 【Computed Properties】
- Molecular Weight:241.00527 [g/mol]
Molecular Formula:C7H4BrF3O
XLogP3-AA:3.8
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:1
Exact Mass:239.939762
MonoIsotopic Mass:239.939762
Topological Polar Surface Area:9.2
Heavy Atom Count:12
Formal Charge:0
Complexity:140
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2
Safety and Handling
- 【Safety】
-
Hazard Codes:?
Xn
Xi
N
Risk Statements: 22-36/37/38-43-51/53?
R22: Harmful if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
R43: May cause sensitization by skin contact
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 26-36/37-61-37/39-36?
S26: In case of contact with eyes, rinse immediately with plenty of WATER and seek medical advice?
S36/37: Wear suitable protective clothing and gloves
S61: Avoid release to the environment. Refer to special instructions / safety data sheets
S37/39: Wear suitable gloves and eye/face protection
S36:Wear suitable protective clothing
RIDADR: UN 3082 9/PG 3
WGK Germany: 1
Hazard Note: Irritant
HazardClass: IRRITANT
- 【Specification】
-
?1-Bromo-4-(trifluoromethoxy)benzene (CAS NO.407-14-7) is also called as 4-Bromo-alpha,alpha,alpha-trifluoroanisole ; 4-Bromo(trifluoromethoxy)benzene ; 4-(Trifluoromethoxy)bromobenzene ; P-trifluoromethoxy bromobenzene ; P-bromotrifluoromethoxybenzene ; Benzene, 1-bromo-4-(trifluoromethoxy)-? .