AG005T1C

69951-01-5 | 2-Iodo-1,4-benzenediamine

AG005T1C

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CAS Number	69951-01-5
Catalog Number	AG005T1C(AGN-PC-0JWJ09)
Chemical Name	2-Iodo-1,4-benzenediamine
IUPAC Name	2-iodobenzene-1,4-diamine
InChI	InChI=1S/C6H7IN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2
InChI Key	CAAOWHHLKPUWHW-UHFFFAOYSA-N
MDL Number	MFCD04971329
Molecular Formula	C6H7IN2
Molecular Weight	234.0377
SMILES	IC1=C(C=CC(=C1)N)N
Synonyms	2-iodo-1,4-benzenediamine, 69951-01-5, 2-iodobenzene-1,4-diamine, 4-amino-2-iodophenylamine, iodobenzenediamine, AC1LGCSA, PubChem13068, 2-Iodo-p-phenylenediamine, AC1Q4PH6, 1,4-Benzenediamine,2-iodo-, 2-Iodo-1,4-phenylenediamine, SCHEMBL6029715, CTK5D1592, KS-00000JMT, DTXSID20356051, CAAOWHHLKPUWHW-UHFFFAOYSA-N, ZINC334515, ACT08626, ANW-49717, CI-184, CL4103, MFCD04971329, SBB098165, AKOS005071083, AC-3609, MCULE-6441703502, QC-9114, RP13433, VZ24787, AJ-19677, AK-23635, AN-12810, BR-23635, CJ-02899, SY041324, ZB010748, AB0007273, TR-023229, 4CH-011168, AM20061001, FT-0650470, ST24022266, TL80090794, V0660, MFCD04971329 (95%), S-2976, 7Z-0702, 951I015, AI-942/42301889, I01-7772, J-509728, C6H7IN2, AR-1E2842, CID819128, ZINC00334515, 70699-77-3,

Complexity	97.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.965g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	234.04g/mol
Monoisotopic Mass	233.965g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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