AG003LWH

5466-84-2 | 5-Nitroisobenzofuran-1,3-dione

AG003LWH

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CAS Number	5466-84-2
Catalog Number	AG003LWH(AGN-PC-0WAAM3)
Chemical Name	5-Nitroisobenzofuran-1,3-dione
EC Number	226-776-2
IUPAC Name	5-nitro-2-benzofuran-1,3-dione
InChI	InChI=1S/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3H
InChI Key	MMVIDXVHQANYAE-UHFFFAOYSA-N
MDL Number	MFCD00005922
Molecular Formula	C8H3NO5
Molecular Weight	193.1131
NSC Number	26424
SMILES	O=C1OC(C2=C1C=CC([N+]([O-])=O)=C2)=O
UNII	SQN32UA63N
Synonyms	4-NITROPHTHALIC ANHYDRIDE, 5466-84-2, 5-nitroisobenzofuran-1,3-dione, Phthalic anhydride, 4-nitro-, 1,3-Isobenzofurandione, 5-nitro-, 4-Nitrophthalic acid anhydride, 5-Nitrophthalic anhydride, 5-Nitro-2-benzofuran-1,3-dione, UNII-SQN32UA63N, CCRIS 4684, 5-Nitro-1,3-isobenzofurandione, EINECS 226-776-2, MFCD00005922, NSC 26424, BRN 0179682, SQN32UA63N, MMVIDXVHQANYAE-UHFFFAOYSA-N, NSC26424, 4nitrophthalic anhydride, AC1L5KOS, AC1Q1ZPQ, ACMC-1APL7, DSSTox_CID_5775, 4-nitro phthalic anhydride, 4-Nitro-phthalic anhydride, AC1Q1Y4L, DSSTox_RID_77920, DSSTox_GSID_25775, 5-17-11-00267 (Beilstein Handbook Reference), KSC494A8B, MLS002454378, SCHEMBL158311, CHEMBL1373184, DTXSID6025775, 4-Nitrophthalic anhydride, 92%, CTK3J4080, 5-Nitrobenzo[c]furan-1,3-dione, HMS3039P05, 5-nitroisobenzo[b]furan-1,3-dione, ZINC8585905, Tox21_200328, ANW-32150, CN-165, NSC-26424, SBB008431, STK677046, 5-Nitro-2-benzofuran-1,3-dione #, AKOS003236943, AC-4828, CS-W008336, FR-2047, LS-1347, MCULE-2097575805, RP25222, RTR-019324, KS-000010P1, TRA-0184346, NCGC00091647-01, NCGC00091647-02, NCGC00257882-01, AK-89724, R329, SC-12234, SMR001371998, CAS-5466-84-2, AB1003926, DB-052626, ST2418842, TL8006089, TR-019324, FT-0619294, N0246, 5-nitro-1,3-dihydro-2-benzofuran-1,3-dione, K-9841, 51553-EP2305248A1, 51553-EP2305663A1, 51553-EP2311824A1, AE-508/40879362, Q-200505, A2447/0103740, InChI=1/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3, null, 4-nitrophthalicanhydride, 1, 5-nitro-, C8H3NO5, 4-Nitrophenethylamine hydrochloride, C8-H3-N-O5, 4-Nitrophthalic anhydride, 95% 5g, AR-1G4128, CID230976, 4-Nitrophthalic anhydride, 93% - 25G 25g, 6326-59-6,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.001g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	193.114g/mol
Monoisotopic Mass	193.001g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	89.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number