AG003HVF

2257-09-2 | 2-Phenylethyl isothiocyanate

AG003HVF

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CAS Number	2257-09-2
Catalog Number	AG003HVF(AGN-PC-00BDZX)
Chemical Name	2-Phenylethyl isothiocyanate
EC Number	218-855-5
FEMA Number	4014
IUPAC Name	2-isothiocyanatoethylbenzene
InChI	InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChI Key	IZJDOKYDEWTZSO-UHFFFAOYSA-N
MDL Number	MFCD00004821
Molecular Formula	C9H9NS
Molecular Weight	163.2395
NSC Number	87868
SMILES	S=C=NCCC1=CC=CC=C1
UNII	6U7TFK75KV
Synonyms	2-phenylethyl isothiocyanate, beta-phenylethyl isothiocyanate, PEITC, PEITC compound, phenethyl isothiocyanate, phenethylisothiocyanate, phenylethyl isothiocyanate, 2-Phenylethyl isothiocyanate, Phenethyl isothiocyanate, 2257-09-2, Phenylethyl isothiocyanate, (2-Isothiocyanatoethyl)benzene, Phenethyl mustard oil, Phenylaethylsenfoel, 2-isothiocyanatoethylbenzene, Benzene, (2-isothiocyanatoethyl)-, PEITC, Phenylethyl mustard oil, 2-phenylethylisothiocyanate, PHENETHYLISOTHIOCYANATE, 2-phenethyl isothiocyanate, ISOTHIOCYANIC ACID, PHENETHYL ESTER, beta-Phenethyl isothiocyanate, MFCD00004821, beta-Phenylethyl isothiocyanate, CHEBI:351346, NSC 87868, C9H9NS, UNII-6U7TFK75KV, Phenylaethylsenfoel [German], 6U7TFK75KV, CCRIS 3146, CHEMBL151649, .beta.-Phenethyl isothiocyanate, 1-Isothiocyanato-2-phenylethane, .beta.-Phenylethyl isothiocyanate, 1-(2-isothiocyanatoethyl)benzene, (2-Isothiocyanato-ethyl)-benzene, IZJDOKYDEWTZSO-UHFFFAOYSA-N, EINECS 218-855-5, Isothiocyanic Acid 2-Phenylethyl Ester, BRN 2084162, 2-phenylethanisothiocyanate, phenethyl-isothiocyanate, ACMC-1CLKQ, 2-phenethylisothiocyanate, A-Phenethyl isothiocyanate, DSSTox_CID_1120, WLN: SCN2R, beta-phenethylisothiocyanate, Epitope ID:138724, b-phenylethyl isothiocyanate, DSSTox_RID_75951, DSSTox_GSID_21120, 2-phenyl ethyl isothiocyanate, SCHEMBL156960, Phenethyl isothiocyanate, 99%, AC1L28L3, DTXSID5021120, CTK4E9755, IZJDOKYDEWTZSO-UHFFFAOYSA-, (2-Isothiocyanatoethyl)benzene #, 2-Phenylethyl isothiocyanate, FG, Benzene,(2-isothiocyanatoethyl)-, HMS1783C17, KS-00000YK1, NSC87868, ZERO/008133, ZINC2022074, Tox21_200100, (2-Isothiocyanatoethyl)benzene, 9CI, ANW-13714, BBL009999, BDBM50240850, NSC-87868, SBB002732, STK397325, AKOS000119469, DB12695, LS-7646, MCULE-7681211375, NE22461, Isothiocyanic acid beta-phenylethyl ester, NCGC00248526-01, NCGC00257654-01, AC-12769, AS-17373, BP-12941, NCI60_041942, SC-75540, U800, CAS-2257-09-2, AB1006056, DB-045947, Isothiocyanic acid .beta.-phenylethyl ester, TC-102458, FT-0604634, P0986, Phenethyl isothiocyanate, analytical standard, ST50330661, 4-12-00-02476 (Beilstein Handbook Reference), A816267, I01-3453, I01-8790, J-802164, W-107466, BRD-K56700933-001-02-1, 1-ISOTHIOCYANATO-2-PHENYLETHANE (1,1,2,2-D4), F0001-0795, InChI=1/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2, PEITC compound, Phenylethylisothiocyanate, beta-Phenethylisothiocyanat, D07AOL, ethyl-2-isothiocyanato acetate, Phenylethyl isothiocyanate, 96%, CID16741, 2-Phenethyl isothiocyanate, 96% - 25G 25g, C058305,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.046g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.238g/mol
Monoisotopic Mass	163.046g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312+H332-H315-H317-H319-H334-H335
Precuationary statements	P261-P280-P305+P351+P338-P342+P311
Siginal words

Certificate of Analysis

Lot Number