AG00IGZB

92-55-7 | Nitrofurfural diacetate

AG00IGZB

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CAS Number	92-55-7
Catalog Number	AG00IGZB(AGN-PC-0W04DB)
Chemical Name	Nitrofurfural diacetate
EC Number	202-166-1
IUPAC Name	[acetyloxy-(5-nitrofuran-2-yl)methyl] acetate
InChI	InChI=1S/C9H9NO7/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3
InChI Key	HSXKWKJCZNRMJO-UHFFFAOYSA-N
MDL Number	MFCD00003244
Molecular Formula	C9H9NO7
Molecular Weight	243.1703
NSC Number	5411
SMILES	O=[N+](C1=CC=C(C(OC(C)=O)OC(C)=O)O1)[O-]
UNII	7X0X1KNE3Q
Synonyms	92-55-7, 5-Nitro-2-furaldehyde diacetate, 5-Nitrofurfural diacetate, (5-Nitrofuran-2-yl)methylene diacetate, 5-Nitro-2-furanmethanediol diacetate, 2-(Diacetoxymethyl)-5-nitrofuran, 5-Nitrofurfurylidene diacetate, Nitrofuraldehyde diacetate, 5-Nitro-2-furfural diacetate, 5-Nitrofuraldehyde diacetate, 5-Nitro-2-furfuraldehyde diacetate, 5-Nitro-2-furanmethandiol diacetate, 5-nitro-2-furaldehydediacetate, Methanediol, (5-nitro-2-furanyl)-, diacetate (ester), 5-Nitro-2-furancarboxaldehyde diacetate, UNII-7X0X1KNE3Q, NSC 5411, 2-FURANMETHANEDIOL, 5-NITRO-, DIACETATE, CCRIS 1191, 5-Nitrofurfurylidene di(acetate), Methanediol, 1-(5-nitro-2-furanyl)-, 1,1-diacetate, EINECS 202-166-1, MFCD00003244, 5-Nitro-2-furan methandiol diacetate, BRN 0255089, 7X0X1KNE3Q, (5-nitrofuran-2-yl)methanediyl diacetate, AI3-23602, (acetyloxy)(5-nitrofuran-2-yl)methyl acetate, HSXKWKJCZNRMJO-UHFFFAOYSA-N, (5-nitro-2-furyl)methylene diacetate, 5-Nitro-2-furaldehyde diacetate, 98%, [acetyloxy-(5-nitrofuran-2-yl)methyl] acetate, acetyloxy(5-nitro(2-furyl))methyl acetate, Nifuratel Impurity A, AC1Q5AZX, (Acetyloxy)(5-nitro-2-furyl)methyl acetate, DSSTox_CID_946, Maybridge1_006444, EC 202-166-1, DSSTox_RID_75882, DSSTox_GSID_20946, 2-Furanmethanediol, diacetate, 5-17-09-00324 (Beilstein Handbook Reference), AC1L1O01, CHEMBL402463, SCHEMBL6550567, 5-Nitrofurfural Diacetyl Acetal, DTXSID5020946, CTK3J4291, HMS559M20, HSXKWKJCZNRMJO-UHFFFAOYSA-, KS-00000BNG, ZINC56461, NSC5411, NSC-5411, 2-(Diacetoxymethyl)-5-nitro-furane, 5-Nitro-2-furfural Diacetyl Acetal, Tox21_200727, SBB056636, STK325717, AKOS000121509, DS-6423, LS-7549, MCULE-6183062905, NE26486, RTR-033616, CAS-92-55-7, NCGC00248811-01, NCGC00258281-01, (5-Nitrofuran-2-yl)methylidene Diacetate, AC-10064, AJ-09269, AK114183, AN-42605, SC-77087, SY017436, ZB001656, [acetoxy-(5-nitro-2-furyl)methyl] acetate, TR-033616, FT-0620690, N0218, ST24020639, ST45021453, [acetyloxy-(5-nitro-2-furyl)methyl] acetate, MFCD00003244 (98%), (5-nitro-2-furanyl)-methanediodiacetate(ester), (Acetyloxy)(5-nitro-2-furyl)methyl acetate #, Methanediol, (5-nitro-2-furanyl)-, diacetate, I14-7528, Nitrofural impurity B, European Pharmacopoeia (EP) Reference Standard, Nitrofurfural diacetate, United States Pharmacopeia (USP) Reference Standard, InChI=1/C9H9NO7/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3, 5-Nitrofurfuraldiacetate, 5-nitrofurfurylidendi(acetat), C9H9NO7, Methanediol, diacetate (ester), CID7097, C9-H9-N-O7, AR-1G9104, CS-O-30701, 5-Nitro-2-furaldehyde diacetate, 98% - 100G 100g, Nitrofurfural Diacetate (5-Nitro-2-furaldehyde Diacetate), 98355-36-3,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.038g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.171g/mol
Monoisotopic Mass	243.038g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H351-H341
Packing Group
Precautionary statements	P261-P280-P301+P312+P330-P201-P202-P308+P313-P405-P501a
UN Code

Certificate of Analysis

Lot Number