AG0035HS

4421-09-4 | 3,4-(Methylenedioxy)benzonitrile

AG0035HS

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CAS Number	4421-09-4
Catalog Number	AG0035HS(AGN-PC-0JLR5T)
Chemical Name	3,4-(Methylenedioxy)benzonitrile
EC Number	224-590-6
IUPAC Name	1,3-benzodioxole-5-carbonitrile
InChI	InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
InChI Key	PKRWWZCDLJSJIF-UHFFFAOYSA-N
MDL Number	MFCD00005820
Molecular Formula	C8H5NO2
Molecular Weight	147.1308
NSC Number	27009
SMILES	C1OC=2C=C(C#N)C=CC2O1
Synonyms	Piperonylonitrile, 4421-09-4, 1,3-Benzodioxole-5-carbonitrile, Benzo[d][1,3]dioxole-5-carbonitrile, 3,4-(Methylenedioxy)benzonitrile, 3,4-Methylenedioxybenzonitrile, 2H-1,3-benzodioxole-5-carbonitrile, Benzo-1,3-dioxole-5-carbonitrile, Benzonitrile, 3,4-methylenedioxy-, Piperonylonitrile, 97%, PKRWWZCDLJSJIF-UHFFFAOYSA-N, EINECS 224-590-6, MFCD00005820, NSC 27009, BRN 0006224, AI3-31574, 2H-benzo[d]1,3-dioxolane-5-carbonitrile, NSC27009, PubChem15358, AC1L2UKA, 5-cyano-1,3-benzodioxol, ACMC-2097fg, SCHEMBL140150, Benzonitrile,4-methylenedioxy-, CTK1D7375, KS-00000NCO, 3,4-Methylene dioxy benzonitrile, DTXSID80196071, Benzo[1,3]dioxole-5-carbonitrile, WLN: T56 BO DO CHJ HCN, ZINC388101, CS-D1495, ANW-13898, NSC-27009, SBB014538, STK397291, AKOS000277078, LS40634, MCULE-9195791252, RP21122, RTX-012535, TRA0060254, VA11534, AJ-20431, AK100074, SC-45985, SY048463, TS-01914, DB-051195, LS-117359, FT-0614107, P1074, ST24046055, ST50711783, MFCD00005820 (98%), 1,3-Benzodioxole-5-carbonitrile (Piperonitrile), 5-19-07-00303 (Beilstein Handbook Reference), J-503865, I14-18971, Z57756578, F0001-1205, InChI=1/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H, CID78136, Piperonylonitrile, 97% - 25G 25g, ACN-035943,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.032g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.133g/mol
Monoisotopic Mass	147.032g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312+H332-H302-H312-H331
Precuationary statements	P280-P261-P280h-P304+P340-P311a-P405-P501a
Siginal words

Certificate of Analysis

Lot Number