AG003FCW

79415-41-1 | 2,3,4,5,6-Pentabromobenzyl Alcohol

AG003FCW

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CAS Number	79415-41-1
Catalog Number	AG003FCW(AGN-PC-0KK69W)
Chemical Name	2,3,4,5,6-Pentabromobenzyl Alcohol
IUPAC Name	(2,3,4,5,6-pentabromophenyl)methanol
InChI	InChI=1S/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChI Key	KKWHDMUCBWSKGL-UHFFFAOYSA-N
MDL Number	MFCD00192377
Molecular Formula	C7H3Br5O
Molecular Weight	502.6181
SMILES	OCC1=C(Br)C(Br)=C(Br)C(Br)=C1Br
Synonyms	2,3,4,5,6-Pentabromobenzyl alcohol, 79415-41-1, Pentabromobenzyl Alcohol, 2,3,4,5,6-PENTABROMOBENZYLALCOHOL, (2,3,4,5,6-pentabromophenyl)methanol, Q-200161, ACMC-1BEJI, AC1Q7BWB, AC1MC00T, SCHEMBL2231158, (PENTABROMOPHENYL)METHANOL, CTK5E6768, KKWHDMUCBWSKGL-UHFFFAOYSA-, DTXSID00370053, KKWHDMUCBWSKGL-UHFFFAOYSA-N, CS-B1748, ZINC2557059, MFCD00192377, AKOS015835155, FCH1319976, Benzenemethanol,2,3,4,5,6-pentabromo-, TR-025253, 2,3,4,5,6-Pentabromobenzyl alcohol, 97%, P1457, 415P411, I01-17380, InChI=1/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2, ZINC02557059, CID2733946,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	501.606g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	502.62g/mol
Monoisotopic Mass	497.61g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319
Packing Group
Precautionary statements	P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
UN Code

Certificate of Analysis

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