AG003CDA

14649-03-7 | (S)-(-)-1-Phenylethyl isocyanate

AG003CDA

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CAS Number	14649-03-7
Catalog Number	AG003CDA(AGN-PC-0O3BCM)
Chemical Name	(S)-(-)-1-Phenylethyl isocyanate
EC Number	238-698-6
IUPAC Name	[(1S)-1-isocyanatoethyl]benzene
InChI	InChI=1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m0/s1
InChI Key	JJSCUXAFAJEQGB-QMMMGPOBSA-N
MDL Number	MFCD00002036
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	C[C@@H](C1=CC=CC=C1)N=C=O
Synonyms	14649-03-7, (S)-(-)-1-Phenylethyl isocyanate, [(1S)-1-isocyanatoethyl]benzene, (S)-(-)-alpha-Methylbenzyl isocyanate, MFCD00002036, Benzene, [(1S)-1-isocyanatoethyl]-, (s)-(1-isocyanatoethyl)benzene, Isocyanic Acid (S)-(-)-a-Methylbenzyl Ester, (S)-alpha-methylbenzyl isocyanate, JJSCUXAFAJEQGB-QMMMGPOBSA-N, (S)-(-)-1-Phenylethylisocyanate, (S)-1-PHENYLETHYLISOCYANATE, (S)-(-)-alpha-Methylbenzyl isocyanate, 98%, Isocyanic Acid (S)-(-)-alpha-Methylbenzyl Ester, S-(-)-alpha-Methylbenzyl isocyanate, Isocyanic Acid (S)-(-)--Methylbenzyl Ester, (1-Isocyanatoethyl)benzene #, s-phenylethyl-nco, PubChem8097, AC1MC4DI, (S)-methyl benzylisocyanate, AC1Q29JM, SCHEMBL7980, (S)-methyl benzyl isocyanate, (S)-1-phenylethyl isocyanate, (S)-1-isocyanato-ethyl-benzene, (S)-alpha-methylbenzylisocyanate, s-(-)-a-methylbenzyl isocyanate, ((S)-1-isocyanatoethyl)-benzene, (s)(-)-alpha-phenethyl isocyanate, (s)-(-)-a-methylbenzyl isocyanate, ZINC2169838, ANW-21015, Benzene,[(1S)-1-isocyanatoethyl]-, (S)-(-)-|A-Methylbenzyl isocyanate, AKOS015840303, AB00191, LS30276, Benzene, (1-isocyanatoethyl)-, (S)-, (S)-(-)-.alpha.-Methylbenzyl isocyanate, DB-063669, TR-005815, FT-0605198, I0335, Isocyanic Acid (S)-(-)-1-Phenylethyl Ester, 649M037, A808515, ISOCYANIC ACID (S)-(-)-METHYLBENZYL ESTER, J-008231, ISOCYANIC ACID (S)-(-)-1-METHYLBENZYL ESTER, (S)-(-)-alpha-Methylbenzyl isocyanate, for chiral derivatization, >=99.0%, (S)-(-)-alpha-Methylbenzyl isocyanate, ChiPros(R), produced by BASF, >=99.0%, C9H9NO, alpha-Methylbenzyl isocyanate, (S)-?-Methylbenzylisocyanat, (S)-alpha-Phenethylisocyanat, C9-H9-N-O, EINECS 238-698-6, CB10521, CID2724173, (S)-(-)-1-Phenylethyl isocyanate, 98% 1g,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	147.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.177g/mol
Monoisotopic Mass	147.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H330-H334-H335
Precuationary statements	P260-P284-P305+P351+P338-P310
Siginal words

Certificate of Analysis

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