AG0079QV

37441-29-5 | 5-Amino-2,4,6-triiodoisophthaloyl dichloride

AG0079QV

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CAS Number	37441-29-5
Catalog Number	AG0079QV(AGN-PC-0MVA54)
Chemical Name	5-Amino-2,4,6-triiodoisophthaloyl dichloride
IUPAC Name	5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride
InChI	InChI=1S/C8H2Cl2I3NO2/c9-7(15)1-3(11)2(8(10)16)5(13)6(14)4(1)12/h14H2
InChI Key	FBJVWRITWDYUAC-UHFFFAOYSA-N
MDL Number	MFCD00270836
Molecular Formula	C8H2Cl2I3NO2
Molecular Weight	595.7264
SMILES	ClC(C1=C(C(C(Cl)=O)=C(C(N)=C1I)I)I)=O
UNII	9OP12587AJ
Synonyms	37441-29-5, 5-amino-2,4,6-triiodoisophthaloyl dichloride, UNII-9OP12587AJ, 5-Amino-2,4,6- triiodisophthaloyl acid dichloride, 5-Amino-2,4,6-triiodoisophthaloyl Chloride, 5-Amino-2,4,6-triiodisophthaloyl dichloride, 5-amino-2,4,6-triiodo-isophtaloyl dichloride, 5-Amino-2,4,6-triiodisophthaloyl acid dichloride, 9OP12587AJ, 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic Acid Dichloride, 5-Amino-2,4,6-Triodoisophthalolyl Chloride, 1,3-Benzenedicarbonyldichloride, 5-amino-2,4,6-triiodo-, Iohexol impurity L [EP], EC 417-220-1, C8H2Cl2I3NO2, 3,5-Bis(chlorocarbonyl)-2,4,6-triiodobenzenamine, SCHEMBL620188, Jsp006620, 5-Amino-2,4,6-triiodo-1,3-benzenedicarbonyldichloride, 5-amino-2,4,6-triiodo-benzene-1,3-dicarbonyl Chloride, CTK1C2260, 1,3-Benzenedicarbonyl dichloride, 5-amino-2,4,6-triiodo-, DTXSID20190891, FBJVWRITWDYUAC-UHFFFAOYSA-N, BCP09381, CA-477, MFCD00270836, ZINC77271477, AKOS015894293, AC-8410, AN-8019, VZ30012, AS-15641, Q119, 5-amino-2,4,6-triodoisophthalolylchloride, AB0017412, FT-0639373, 5-Amino-2,4,6-triiodo-isophthaloyl dichloride, 2,4,6-Triiodo-5-aminoisophthalic acid dichloride, 441A295, 5-amino-2,4,6-triiodoisophthalic acid dichloride, A823652, C-23307, 2,4,6-triiodo-5-amino-isophthalic acid dichloride, 5-Amino-2,4,6-triiodo-isophthalic acid dichloride, 5-amino-2,4,6-triiodo-isophthalic acid-dichloride, I05-0031, 5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride, N-[3,5-Bis(chlorocarbonyl)-2,4,6-triiodophenyl]amine, 5-azanyl-2,4,6-tris(iodanyl)benzene-1,3-dicarbonyl chloride, CID9894858, A2854, 5-Amino-2,4,6-triiodisophthaloylaciddichloride,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	594.66g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	595.722g/mol
Monoisotopic Mass	594.66g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H317-H319-H411
Packing Group	Ⅲ
Precautionary statements	P261-P264-P272-P273-P280-P302+P352+P333+P313+P363-P305+P351+P338+P337+P313-P391-P501
UN Code	UN 3077

Certificate of Analysis

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