AG003T1S

4747-81-3 | N-HEPTYL ISOCYANATE

AG003T1S

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CAS Number	4747-81-3
Catalog Number	AG003T1S(AGN-PC-0JMQ28)
Chemical Name	N-HEPTYL ISOCYANATE
IUPAC Name	1-isocyanatoheptane
InChI	InChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3
InChI Key	RFXBSYPBSRSQDU-UHFFFAOYSA-N
MDL Number	MFCD00144892
Molecular Formula	C8H15NO
Molecular Weight	141.2108
SMILES	CCCCCCCN=C=O
Synonyms	Heptyl isocyanate, 4747-81-3, n-Heptyl isocyanate, 1-isocyanatoheptane, 1-heptyl isocyanate, N-HEPTYLISOCYANATE, Heptane, 1-isocyanato-, RFXBSYPBSRSQDU-UHFFFAOYSA-N, MFCD00144892, heptylisocyanate, AC1L3CLD, AC1Q2WCI, Heptyl isocyanate, 97%, ACMC-209k9f, Isocyanic Acid Heptyl Ester, SCHEMBL67024, CTK1D6392, DTXSID10197152, ZINC2516951, ANW-30529, GEO-01474, n-Heptyl isocyanate;Heptyl isocyanate, AKOS009159074, TC-119274, FT-0627395, I0505, I14-112282, MOLI001872, CID138341,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.115g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	141.214g/mol
Monoisotopic Mass	141.115g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H318-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	danger
UN Code	UN 2206

Certificate of Analysis

Lot Number