AG003MP5

6280-87-1 | 5-Chloropentanenitrile

AG003MP5

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CAS Number	6280-87-1
Catalog Number	AG003MP5(AGN-PC-0JLSO7)
Chemical Name	5-Chloropentanenitrile
EC Number	228-481-4
IUPAC Name	5-chloropentanenitrile
InChI	InChI=1S/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2
InChI Key	JSAWFGSXRPCFSW-UHFFFAOYSA-N
MDL Number	MFCD00001977
Molecular Formula	C5H8ClN
Molecular Weight	117.5767
NSC Number	6156
SMILES	ClCCCCC#N
Synonyms	5-Chlorovaleronitrile, 5-Chloropentanenitrile, 6280-87-1, Pentanenitrile, 5-chloro-, 5-Chloro-n-valeronitrile, Valeronitrile, 5-chloro-, 5-chloro Valeronitrile, MFCD00001977, .delta.-Chlorovaleronitrile, JSAWFGSXRPCFSW-UHFFFAOYSA-N, 5-Chlorovaleronitrile, 97%, 5-chlorovaIeronitrile, C5H8ClN, NSC6156, sNxHFHaIUZjp@, EINECS 228-481-4, 4-Chlorobutyl Cyanide, delta-Chlorovaleronitrile, AI3-20151, AC1L2ZIC, AC1Q3ULM, AC1Q3ULN, 4-chloro-n-butyl cyanide, ACMC-1B9IA, 5-Chlorovaleronitrile, 98%, SCHEMBL851045, CTK3J2440, JSAWFGSXRPCFSW-UHFFFAOYSA-, DTXSID20211898, KS-00000F4T, NSC-6156, ZINC1693305, ANW-34387, GEO-00825, SBB061418, AKOS000121428, CS-W022361, GS-3070, MCULE-9317036806, RTR-021604, TRA0035604, AJ-30172, BR-32270, CJ-06528, L818, SC-16304, AB0014901, ST2411967, TR-021604, AM20100537, C1421, FT-0620344, ST45029095, 5-Chlorovaleronitrile, purum, >=95.0% (GC), C-4540, I14-5906, InChI=1/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2, F8889-5790, 4-Chlorobutyronitrile, (2-Formylphenoxy)acetic acid, C5-H8-Cl-N, CID80474, AR-1G7871, 5-Chlorovaleronitrile, 99% - 25G 25g, 63834-70-8,

Complexity	71.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	117.035g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	117.576g/mol
Monoisotopic Mass	117.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
Signal Words	danger
UN Code	UN 3276

Certificate of Analysis

Lot Number