Related Searches: 4-Bromobenzotrifluoride, 3-Bromobenzotrifluoride, 2-Bromobenzotrifluoride, 5-Amino-2-bromobenzotrifluoride, 4-Chloro-4'-hydroxybenzophenone, View all

4-Bromobenzotrifluoride(CAS No. 402-43-7)

4-Bromobenzotrifluoride C7H4BrF3 (cas 402-43-7) Molecular Structure

402-43-7 Structure

Identification and Related Records

【Name】
4-Bromobenzotrifluoride
【Iupac name】
1-bromo-4-(trifluoromethyl)benzene
【CAS Registry number】
402-43-7
【Synonyms】
Benzene, 1-bromo-4-(trifluoromethyl)-
4-Bromo-alpha,alpha,alpha-trifluorotoluene
1-bromo-4-(trifluoromethyl)benzene
p-bromo trifluorotoluene
P-Bromobenzotrifluoride
4-Bromo Trifluoromethyl Benzene
4-bromo-α,α,α-trifluorotoluene
4-bromotrifluoromethylbenzene
p-Trifluoromethyl Bromobenzene
4/p-Bromobenzotrifluoride
【EINECS(EC#)】
206-943-6
【Molecular Formula】
C7H4BrF3 (Products with the same molecular formula)
【Molecular Weight】
225.01
【Inchi】
InChI=1/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
【InChIKey】
XLQSXGGDTHANLN-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC=C1C(F)(F)F)Br
【MOL File】
402-43-7.mol

Chemical and Physical Properties

【Appearance】
clear to slightly yellow liquid
【Density】
1.6
【Boiling Point】
154-155℃
【Vapour】
4.072mmHg at 25°C
【Refractive Index】
1.472-1.474
【Flash Point】
48℃
【Water】
Moderately soluble
【Solubilities】
Moderately soluble
【HS Code】
29036990
【Storage temp】
Flammables area
【Computed Properties】
Molecular Weight:225.00587 [g/mol]
Molecular Formula:C7H4BrF3
XLogP3:3.9
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:223.944847
MonoIsotopic Mass:223.944847
Topological Polar Surface Area:0
Heavy Atom Count:11
Formal Charge:0
Complexity:124
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 Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R10;R36/37/38
【Safety Statements 】
S16;S26;S37/39
【HazardClass】
3
【Hazard Note】
Flammable
【Safety】

Hazard Codes :?IrritantXi,FlammableF,HarmfulXn
Risk Statements : 10-36/37/38?
R10:Flammable.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements : 26-36-37/39-16?
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.?
S16:Keep away from sources of ignition.
RIDADR : UN 1993 3/PG 3
WGK Germany : 3
Hazard Note : Flammable
TSCA : T
HazardClass : 3
PackingGroup : III

【PackingGroup 】
III
【Transport】
UN 1993
【Specification】

?4-Bromobenzotrifluoride (CAS NO.402-43-7), its Synonyms are 4-Bromo-alpha,alpha,alpha-trifluorotoluene ; Benzene, 1-bromo-4-(trifluoromethyl)- ; p-Bromobenzotrifluoride ; 1-Bromo-4-(trifluoromethyl)benzene .

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
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Business Type:Manufacturer
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Diamond member Jinlan Pharm-Drugs Technology Co., Limited
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Business Type:Manufacturer
Telephone:86-571-85829152
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Capot Chemical Co., Ltd.
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Business Type:Manufacturer
Telephone:86-571-85586718

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