AG006IC8

685-87-0 | Diethyl 2-bromomalonate

AG006IC8

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CAS Number	685-87-0
Catalog Number	AG006IC8(AGN-PC-0JL95P)
Chemical Name	Diethyl 2-bromomalonate
EC Number	211-683-1
IUPAC Name	diethyl 2-bromopropanedioate
InChI	InChI=1S/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
InChI Key	FNJVDWXUKLTFFL-UHFFFAOYSA-N
MDL Number	MFCD00009138
Molecular Formula	C7H11BrO4
Molecular Weight	239.0638
NSC Number	1985
SMILES	CCOC(=O)C(Br)C(=O)OCC
Synonyms	Diethyl bromomalonate, 685-87-0, Diethyl 2-bromomalonate, Bromomalonic acid diethyl ester, Ethyl bromomalonate, Diethylbromomalonate, Propanedioic acid, bromo-, diethyl ester, 1,3-diethyl 2-bromopropanedioate, diethyl bromopropanedioate, Malonic acid, bromo-, diethyl ester, Propanedioic acid, 2-bromo-, 1,3-diethyl ester, .alpha.-Bromomalonic ester, diethyl 2-bromopropanedioate, Diethyl .alpha.-bromomalonate, FNJVDWXUKLTFFL-UHFFFAOYSA-N, diethyl 2-bromopropane-1,3-dioate, MFCD00009138, Diethyl bromomalonate, 90+%, alpha-Bromomalonic ester, NSC 1985, EINECS 211-683-1, diethyl bromo-malonate, diethyl-2-bromomalonate, PubChem23723, AI3-01376, AC1L2CBK, diethyl 2-bromo-malonate, AC1Q31YW, ACMC-1B1X7, Diethyl bromomalonate, 92%, KSC493G1N, SCHEMBL166529, AC1Q245A, EBD420, DTXSID9060992, CTK3J3316, NSC1985, 2-bromo-malonic acid diethyl ester, BB_SC-00216, CS-B0964, NSC-1985, ZINC1577112, ZX-AT005919, ANW-35519, BBL027739, BR1275, OR9987, SBB070853, STL299667, AKOS000121112, LS41651, MCULE-6155474654, MP-2165, RTC-070251, 2-bromo-propanedioic acid diethyl ester, AJ-27372, AK-59845, AN-47214, AS-15784, BC004960, CJ-05440, CJ-25001, Q774, SC-47363, AX8041954, DB-055170, ST2412808, TC-070251, TL8004811, A9123, BROMO-PROPANEDIOIC ACID DIETHYL ESTER, FT-0624777, 132946-EP2286811A1, 132946-EP2295438A1, C-28284, S14-1014, F2190-0286, InChI=1/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H, Diethyl2-bromomalonate, C7H11BrO4, Malonic acid, diethyl ester, C7-H11-Br-O4, Propanedioic acid, diethyl ester, 2-bromo-2-sec-butylmalonic acid, CID69637, AR-1I9659, ACN-038185, Diethyl bromomalonate, 95% - 25ML 25ml, B1205, 699-30-9,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.984g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.065g/mol
Monoisotopic Mass	237.984g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H290-H318-H314
Packing Group	Ⅱ
Precautionary statements	P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P260h-P301+P330+P331-P303+P361+P353-P501a-P280-P305+P351+P338-P310
Signal Words	danger
UN Code	UN 3265

Certificate of Analysis

Lot Number