AG0034O2

4747-71-1 | Cyclopentyl Isocyanate

AG0034O2

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CAS Number	4747-71-1
Catalog Number	AG0034O2(AGN-PC-0JU8LA)
Chemical Name	Cyclopentyl Isocyanate
IUPAC Name	isocyanatocyclopentane
InChI	InChI=1S/C6H9NO/c8-5-7-6-3-1-2-4-6/h6H,1-4H2
InChI Key	CZALJDQHONFVFU-UHFFFAOYSA-N
MDL Number	MFCD02093695
Molecular Formula	C6H9NO
Molecular Weight	111.1418
SMILES	O=C=NC1CCCC1
Synonyms	Cyclopentyl isocyanate, isocyanatocyclopentane, 4747-71-1, Cyclopentylisocyanate, cyclopentane, isocyanato-, Cyclopentyl isocyanate, 97%, isocyanato cyclopentane, isocyanato-cyclopentane, ACMC-1ASPA, AC1LD7DA, AC1Q6BOH, AC1Q6BOI, SCHEMBL6196, KSC497S6F, Isocyanic Acid Cyclopentyl Ester, CTK3J7962, KS-00000EMI, DTXSID20349201, Isocyanic acid cyclopentyl ester|, CZALJDQHONFVFU-UHFFFAOYSA-N, ALBB-000318, ZINC2389322, BBL036935, MFCD02093695, RW3461, STK500758, AKOS000185060, AB10807, MCULE-6237253816, RTC-030439, TRA0098688, VZ31648, CJ-08338, SC-27896, AB0070883, DB-007374, TC-030439, BB 0259968, FT-0080780, FT-0635426, EN300-54825, W-9105, 747C711, I14-2352, F2147-0903, InChI=1/C6H9NO/c8-5-7-6-3-1-2-4-6/h6H,1-4H, CID643500, ACN-029196, Cyclopentyl isocyanate, 97% - 1G 1g, A7271, C2543,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	111.144g/mol
Monoisotopic Mass	111.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1(3)
Hazard statements	H226-H302-H312-H315-H319-H332-H334-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P342+P311
UN Code	UN 3080

Certificate of Analysis

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