AG003DJ0

96-21-9 | 1,3-Dibromopropan-2-ol

AG003DJ0

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CAS Number	96-21-9
Catalog Number	AG003DJ0(AGN-PC-0JK80P)
Chemical Name	1,3-Dibromopropan-2-ol
EC Number	202-489-8
IUPAC Name	1,3-dibromopropan-2-ol
InChI	InChI=1S/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChI Key	KIHQZLPHVZKELA-UHFFFAOYSA-N
MDL Number	MFCD00000216
Molecular Formula	C3H6Br2O
Molecular Weight	217.8871
NSC Number	636
SMILES	OC(CBr)CBr
UNII	4L2X3X1FPT
Synonyms	1,3-DBP, 1,3-dibromo-2-propanol, 1,3-Dibromo-2-propanol, 1,3-Dibromopropan-2-ol, 96-21-9, 2-Propanol, 1,3-dibromo-, 1,3-Dibromohydrin, Glycerol 1,3-dibromohydrin, 2-Hydroxy-1,3-dibromopropane, 1,3-DIBROMO-2-HYDROXYPROPANE, alpha-Dibromohydrin, .alpha.-Dibromohydrin, NSC 636, Glycerol alpha,gamma-dibromohydrin, Glycerol alpha,gamma-dibromohydrine, Glycerol-alpha,gamma-dibromohydrine, EINECS 202-489-8, UNII-4L2X3X1FPT, BRN 1732074, 4L2X3X1FPT, .alpha.,.gamma.-Dibromohydrin, KIHQZLPHVZKELA-UHFFFAOYSA-N, Glycerol .alpha.,.gamma.-dibromohydrin, Glycerol .alpha.,.gamma.-dibromohydrine, 1,3-Dibromo-2-propanol, 95%, sGQDLLRxbRwUP@, 2-Propanol,3-dibromo-, AC1L1OFG, alpha,alpha'-Dibromohydrin, ACMC-209sj5, 1,3-dibromo-propan-2-ol, WLN: E1YQ1E, SCHEMBL39040, 1,3-dibromo-2-propylalcohol, 4-01-00-01496 (Beilstein Handbook Reference), AC1Q27L7, AC1Q777U, NSC636, DTXSID8059130, CTK3I9631, NSC-636, Glycerol alpha,alpha'-Dibromohydrin, KS-000011OA, STR07916, ZINC1596390, ANW-41247, MFCD00000216, AKOS016010338, NE10014, RTR-031912, TRA0018951, AN-42779, S983, DB-057629, LS-122029, ST2414802, D0187, FT-0606624, 1,3-Dibromo-2-propanol, technical grade, 95%, S14-0920, InChI=1/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H, methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hy, 1,3-Dibromopropanol, 1,3-dibrompropan-2-ol, C3H6Br2O, C3-H6-Br2-O, CID7287, KST-1A9289, AR-1B6824, ZINC01596390, 1914-12-1,

Complexity	28
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.876g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.888g/mol
Monoisotopic Mass	215.879g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(6.1)
Hazard statements	H226-H301-H315-H319-H335-H351
Packing Group	Ⅱ
Precautionary statements	P261-P281-P301+P310-P305+P351+P338
Signal Words	danger
UN Code	UN 1992

Certificate of Analysis

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