AG0029C7

2042-37-7 | Benzonitrile, 2-bromo-

AG0029C7

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CAS Number	2042-37-7
Catalog Number	AG0029C7(AGN-PC-009YOP)
Chemical Name	Benzonitrile, 2-bromo-
EC Number	218-045-1
IUPAC Name	2-bromobenzonitrile
InChI	InChI=1S/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H
InChI Key	AFMPMSCZPVNPEM-UHFFFAOYSA-N
MDL Number	MFCD00001772
Molecular Formula	C7H4BrN
Molecular Weight	182.0174
NSC Number	59730
SMILES	BrC1=C(C#N)C=CC=C1
Synonyms	2-bromobenzonitrile, 2-BROMOBENZONITRILE, 2042-37-7, o-Bromobenzonitrile, 1-Bromo-2-cyanobenzene, Benzonitrile, 2-bromo-, Benzonitrile, o-bromo-, 2-Cyanobromobenzene, 2-Bromobenzenecarbonitrile, o-Bromocyanobenzene, bromobenzonitrile, MFCD00001772, 2-bromo-benzonitrile, Benzonitrile, bromo-, bromobenzonitrile(2-), EINECS 218-045-1, NSC 59730, 2-Bromobenzonitrile, 99%, BRN 2042185, AFMPMSCZPVNPEM-UHFFFAOYSA-N, NSC59730, 2-bromo benzonitrile, 2-cyanophenyl bromide, PubChem3744, 2-Bromobenzonitrile 99%, ACMC-209fa0, AC1Q24FK, 2-BROMOBENZONITRILE,, CHEMWISH IC30310, KSC202G4N, SCHEMBL136719, AC1L27M2, Jsp004175, Benzonitrile, o-bromo- (8CI), CHEMBL3248212, CTK1A2346, TIMTEC-BB SBB008569, DTXSID50174366, OTAVA-BB 1903841, ZINC164585, ACT00738, EBD15400, KS-000002PR, STR06628, ANW-24070, NSC-59730, RW1879, SBB008569, STL168043, AKOS005366657, AC-2433, AS03696, CS-W007475, LS11428, MCULE-6863230367, PS-4959, RP24292, RTC-040300, TRA0049812, AJ-16223, AK-46715, AN-13946, BC002550, BR-46715, CJ-02178, LS-38645, SC-02303, ZB008212, Benzonitrile, o-bromo-;o-bromo-benzonitril, AB0011431, DB-027892, ST2416629, TC-040300, AM20060056, FT-0611535, ST50406342, EN300-49152, 42B377, A21012, B-7762, AC-907/25014151, I01-2594, W-107622, Z57899728, InChI=1/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4, 2-Bromobenzyl alcohol, C7H4BrN, C7-H4-Br-N, CID16272, 2-Bromobenzonitrile, 98% - 1G 1g, B1369, 4-09-00-01013 (Beilstein Handbook Reference), 18982-54-2,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.953g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.02g/mol
Monoisotopic Mass	180.953g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number