AG003TPE

17025-47-7 | Tribromomethyl Phenyl Sulfone

AG003TPE

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CAS Number	17025-47-7
Catalog Number	AG003TPE(AGN-PC-0JLWGL)
Chemical Name	Tribromomethyl Phenyl Sulfone
EC Number	241-096-6
IUPAC Name	tribromomethylsulfonylbenzene
InChI	InChI=1S/C7H5Br3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
InChI Key	DWWMSEANWMWMCB-UHFFFAOYSA-N
MDL Number	MFCD00060068
Molecular Formula	C7H5Br3O2S
Molecular Weight	392.8904
SMILES	O=S(C1=CC=CC=C1)(C(Br)(Br)Br)=O
Synonyms	17025-47-7, Phenyl tribromomethyl sulfone, Tribromomethyl phenyl sulfone, ((Tribromomethyl)sulfonyl)benzene, Benzene, [(tribromomethyl)sulfonyl]-, tribromomethylphenylsulfone, tribromomethylsulfonylbenzene, Tribromomethyl phenyl sulphone, Benzene, ((tribromomethyl)sulfonyl)-, AK-94046, tribromo(phenylsulfonyl)methane, W-107886, C7H5Br3O2S, Tribromide methylphenyl sulfone, Photocure 393, EINECS 241-096-6, SYNCURE BMPS, PubChem10861, AC1L3CKT, AC1Q6ULV, ACMC-1BST6, phenyltribromomethylsulphone, KSC492K7J, (tribromomethylsulfonyl)benzene, SCHEMBL152444, Jsp003472, DTXSID2066147, CTK3J2574, DWWMSEANWMWMCB-UHFFFAOYSA-, DWWMSEANWMWMCB-UHFFFAOYSA-N, ((Tribromomethyl)sulphonyl)benzene, BCP14135, KS-00000H7L, ZINC2169669, [(Tribromomethyl)sulfonyl]benzene #, ANW-22446, MFCD00060068, SBB057608, AKOS015840623, FCH1319760, MCULE-7414610863, RTR-007460, TRA0068206, AC-16481, AJ-33996, BC003565, CJ-07911, DS-17902, M981, SY036438, AX8155025, TL8006868, TR-007460, FT-0637475, ST24033387, ST51006677, MFCD00060068 (97%), C-36452, I01-6495, InChI=1/C7H5Br3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H, C7-H5-Br3-O2-S, [(tribromomethyl)sulphonyl]benzene, CID86912, AR-1L0512, ZINC02169669, T1188, 85959-40-6,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	391.754g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	392.887g/mol
Monoisotopic Mass	389.756g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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