AG0033M5

454-78-4 | 2-bromo-1-chloro-4-(trifluoromethyl)benzene

AG0033M5

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CAS Number	454-78-4
Catalog Number	AG0033M5(AGN-PC-0JL86J)
Chemical Name	2-bromo-1-chloro-4-(trifluoromethyl)benzene
EC Number	207-226-0
IUPAC Name	2-bromo-1-chloro-4-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
InChI Key	APSISOSWYXCEQX-UHFFFAOYSA-N
MDL Number	MFCD00018093
Molecular Formula	C7H3BrClF3
Molecular Weight	259.4509
NSC Number	59728
SMILES	FC(C1=CC=C(Cl)C(Br)=C1)(F)F
Synonyms	2-Bromo-1-chloro-4-(trifluoromethyl)benzene, 454-78-4, 3-Bromo-4-chlorobenzotrifluoride, Benzene, 2-bromo-1-chloro-4-(trifluoromethyl)-, 3-Bromo-4-chloro-alpha,alpha,alpha-trifluorotoluene, MFCD00018093, 3-Bromo-4-chlorobenzotrifluoride, 97%, 4-CHLORO-3-BROMOBENZOTRIFLUORIDE, 3-BROMO-4-CHLORO-A,A,A-TRIFLUOROTOLUENE, 3-Bromo-4-chlorobenzotrifluoride, 98+%, NSC59728, EINECS 207-226-0, PubChem4837, AC1Q4IVK, KSC915A8J, SCHEMBL549677, AC1L28S8, AC1Q3O56, APSISOSWYXCEQX-UHFFFAOYSA-, CTK8B5084, DTXSID80196495, 3-bromo-4-chloro-benzotrifluoride, APSISOSWYXCEQX-UHFFFAOYSA-N, ACT13168, ZINC1689761, ANW-47449, NSC-59728, SBB102206, AKOS015889466, AM61544, AS04569, CS-W012519, LF10077, RTR-032810, KS-00000D95, AJ-29996, AK-35234, AN-45004, BC002831, BR-35234, CJ-28024, DS-12555, SC-75643, 1-bromo-2-chloro-5-trifluoromethylbenzene, 2-Bromo-1-chloro-4-trifluoromethylbenzene, 2-bromo-1-chloro-4-trifluoromethyl-benzene, AB0010453, ST2409616, FT-0615147, ST50406127, 2-bromo-1-chloro-4-(trifluoromethyl)-benzene, S-2752, 2-CHLORO-5-(TRIFLUOROMETHYL)BROMOBENZENE, I01-2160, W-106137, InChI=1/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H, C7H3BrClF3, C7-H3-Br-Cl-F3, CID67988, AR-1D9377, ACN-055902, A7159, B2743, 3-Bromo-4-chlorobenzotrifluoride, 97% - 25G 25g, 4886-77-5,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.906g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.45g/mol
Monoisotopic Mass	257.906g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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