AG0033Y7

623-00-7 | 4-Bromobenzonitrile

AG0033Y7

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CAS Number	623-00-7
Catalog Number	AG0033Y7(AGN-PC-0JKAG3)
Chemical Name	4-Bromobenzonitrile
EC Number	210-764-9
IUPAC Name	4-bromobenzonitrile
InChI	InChI=1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChI Key	HQSCPPCMBMFJJN-UHFFFAOYSA-N
MDL Number	MFCD00001811
Molecular Formula	C7H4BrN
Molecular Weight	182.0174
NSC Number	3978
SMILES	N#Cc1ccc(cc1)Br
Synonyms	4-bromo benzonitrile, 4-BROMOBENZONITRILE, 623-00-7, p-Bromobenzonitrile, Benzonitrile, 4-bromo-, Benzonitrile, p-bromo-, 1-Bromo-4-cyanobenzene, 4-bromo benzonitrile, 4-cyano-bromobenzene, 4-CYANOBROMOBENZENE, 4-bromo-4'-cyanobenzene, bromobenzonitrile-4, MFCD00001811, 4-Bromocyanobenzene, 4-bromo-benzonitrile, NSC 3978, 4-bromobenzenecarbonitrile, EINECS 210-764-9, AI3-00488, HQSCPPCMBMFJJN-UHFFFAOYSA-N, 4-Bromobenzonitrile, 98%, 4bromobenzonitrile, NSC3978, 4-bromoben-zonitrile, p-Bromophenyl cyanide, 4-cyanophenyl bromide, PubChem3745, 4-(bromo)benzonitrile, AC1L1YZF, WLN: NCR DE, ACMC-209n1t, 4-Bromobenzoic acid nitrile, 4-Bromobenzonitrile, 99%, 4-bromanylbenzenecarbonitrile, CHEMWISH IC30312, KSC353G1D, SCHEMBL154636, AC1Q24M7, Benzonitrile, p-bromo- (8CI), CHEMBL3248210, CTK2F3311, DTXSID60211352, OTAVA-BB 1506352, HMS1790K05, ZINC164599, ACT01176, NSC-3978, ANW-34143, RW1876, SBB054163, STL298560, AKOS001061123, AS03698, CS-W004663, LS11574, MCULE-8787690453, PS-5735, RP24291, RTC-020630, TRA0028266, VZ28588, AC-16961, AJ-16231, AK-88501, AN-46750, BC002551, CJ-02183, EN002123, L662, LS-38647, SC-05835, TL806447, ZB008220, AB0007058, DB-028757, ST2411231, TC-020630, AM20040887, FT-0617867, ST50406341, 23B007, M-5162, 46804-EP2287141A1, 46804-EP2287940A1, 46804-EP2301936A1, 46804-EP2308848A1, 46804-EP2311826A2, A833698, AH-034/32461003, I01-0588, W-105018, Z55928801, F0001-1666, InChI=1/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4, 4-bromobenzonitril, 4-Bromobenzaldehyde, C7H4BrN, C7-H4-Br-N, CID12162, ACN-040662, 4-Bromobenzonitrile, 98% - 10G 10g, B1426, 771534-56-6,

Complexity	127
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	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 3439

Certificate of Analysis

Lot Number