AG001NJ0

15499-27-1 | 4-n-Butylchlorobenzene

AG001NJ0

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CAS Number	15499-27-1
Catalog Number	AG001NJ0(AGN-PC-0JSBMQ)
Chemical Name	4-n-Butylchlorobenzene
EC Number	604-986-9
IUPAC Name	1-butyl-4-chlorobenzene
InChI	InChI=1S/C10H13Cl/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChI Key	SKNUPXIXICTRJE-UHFFFAOYSA-N
MDL Number	MFCD00051926
Molecular Formula	C10H13Cl
Molecular Weight	168.6632
SMILES	ClC1=CC=C(CCCC)C=C1
Synonyms	1-Butyl-4-chlorobenzene, 15499-27-1, 4-N-BUTYLCHLOROBENZENE, 4-Butylchlorobenzene, 1-n-Butyl-4-chlorobenzene, 4-CHLORO-N-BUTYLBENZENE, SKNUPXIXICTRJE-UHFFFAOYSA-N, MFCD00051926, p-Clorobutylbenzene, 4-chlorophenylbutane, ACMC-209dbt, 4-n-butyl-chlorobenzene, 4-butyl-1-chlorobenzene, AC1LAZ7Q, 1-Chloro-4-butylbenzene, Benzene, 1-butyl-4-chloro, Benzene,1-butyl-4-chloro-, DSSTox_CID_28167, DSSTox_RID_82728, DSSTox_GSID_48192, SCHEMBL53919, Benzene, 1-butyl-4-chloro-, CHEMBL3186333, DTXSID9048192, CTK8B0874, BUTTPARK 31\04-89, 1-(4'-CHLOROPHENYL)BUTANE, KS-000015PI, ZINC2510144, Tox21_303435, ANW-21543, AKOS015908841, AS02834, MCULE-1290195292, NCGC00257331-01, AJ-36389, PS-11767, CAS-15499-27-1, TC-110288, B3143, FT-0617947, ST50407427, K-4898, I14-34768, CID524314,

Complexity	93
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.071g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.664g/mol
Monoisotopic Mass	168.071g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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