AG0038HB

70484-01-4 | 4-BROMOPHTHALONITRILE

AG0038HB

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CAS Number	70484-01-4
Catalog Number	AG0038HB(AGN-PC-007GHI)
Chemical Name	4-BROMOPHTHALONITRILE
IUPAC Name	4-bromobenzene-1,2-dicarbonitrile
InChI	InChI=1S/C8H3BrN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
InChI Key	ARAONWRSVQOHIT-UHFFFAOYSA-N
MDL Number	MFCD00221794
Molecular Formula	C8H3BrN2
Molecular Weight	207.0268
SMILES	N#Cc1cc(Br)ccc1C#N
Synonyms	4-bromophthalonitrile, 70484-01-4, 4-bromobenzene-1,2-dicarbonitrile, 1,2-Benzenedicarbonitrile, 4-bromo-, AK-46366, 4-Bromo-1,2-dicyanobenzene, SCHEMBL1395661, CTK8B5032, DTXSID80463356, ARAONWRSVQOHIT-UHFFFAOYSA-N, ACT02756, KS-00000O0G, ZINC2559365, ANW-47118, MFCD00221794, AKOS015919552, AS05810, CM12988, CS-W002532, FCH1330871, FS-3341, AJ-40235, BR-46366, CJ-09459, SC-20900, SY031484, AB0026351, AX8095351, DB-055420, ST2418225, TX-016964, 4CH-015851, FT-0641298, W7992, MFCD00221794 (95%), S-4707, C8H3BrN2, 1,2-Benzenedicarbonitrile,4-bromo-, CID11356223, B5509, 74163-81-8,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.948g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	207.03g/mol
Monoisotopic Mass	205.948g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

Lot Number