AG0051LB

816-39-7 | 1,3-Dibromopropan-2-one

AG0051LB

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CAS Number	816-39-7
Catalog Number	AG0051LB(AGN-PC-07A1WJ)
Chemical Name	1,3-Dibromopropan-2-one
EC Number	212-430-8
IUPAC Name	1,3-dibromopropan-2-one
InChI	InChI=1S/C3H4Br2O/c4-1-3(6)2-5/h1-2H2
InChI Key	LQQKDSXCDXHLLF-UHFFFAOYSA-N
MDL Number	MFCD00013540
Molecular Formula	C3H4Br2O
Molecular Weight	215.8713
NSC Number	249810
SMILES	O=C(CBr)CBr
Synonyms	1,3-dibromo-2-propanone, 1,3-dibromopropanone, 1,3-Dibromoacetone, 816-39-7, 1,3-dibromopropan-2-one, 1,3-Dibromo-2-propanone, 2-Propanone, 1,3-dibromo-, 1,3-dibromopropanone, bromomethyl ketone, MFCD00013540, LQQKDSXCDXHLLF-UHFFFAOYSA-N, GEO-00967, bromomethylketone, sGQDLLRxbRwSP@, 1,3-dibromacetone, EINECS 212-430-8, NSC 249810, ACMC-20ap4e, 2-Propanone,3-dibromo-, 1,3-dibromo-2-propanon, C3H4Br2O, AC1L2D1B, 1,3-Dibromo-propan-2-one, KSC449S3P, SCHEMBL228965, AC1Q27G7, AMOT0225, DTXSID1061156, 1,3-Dibromopropan-2-one, tech, CTK3E9937, KS-00000LYU, ZINC1767938, ZX-AT020113, CD0221, NSC249810, 1,3-DIBROMO ACETONE (SYM.), AKOS005206860, AM85919, FCH1322751, NSC-249810, OR16995, RTR-025645, TRA0008001, 1,3-Dibromo-2-propanone, 70%, tech., AK150791, AS-18890, SC-99341, DB-056547, TR-025645, FT-0606625, X3125, A20840, C-51427, 3-Bromo-pyridazine, Lithium diethylamide, DIBROMOACETONE, Dibromo-1,3-acetone, C3-H4-Br2-O, KST-1B8933, CID69952, AR-1B6818, 86315-69-7, 88491-61-6,

Complexity	46.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.861g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.872g/mol
Monoisotopic Mass	213.863g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H317-H412
Packing Group	Ⅱ
Precautionary statements	P273-P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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