AG003HVD

36854-57-6 | 2-phenylbutanoyl chloride

AG003HVD

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CAS Number	36854-57-6
Catalog Number	AG003HVD(AGN-PC-0JM2W7)
Chemical Name	2-phenylbutanoyl chloride
EC Number	253-241-0
IUPAC Name	2-phenylbutanoyl chloride
InChI	InChI=1S/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI Key	QGXMHCMPIAYMGT-UHFFFAOYSA-N
MDL Number	MFCD00018811
Molecular Formula	C10H11ClO
Molecular Weight	182.6467
NSC Number	86133
SMILES	O=C(Cl)C(C1=CC=CC=C1)CC
Synonyms	2-Phenylbutyryl chloride, 2-phenylbutanoyl chloride, 36854-57-6, 2-Phenylbutyrylchloride, 2-Ethyl-2-phenylacetyl Chloride, Butyryl chloride, 2-phenyl-, QGXMHCMPIAYMGT-UHFFFAOYSA-N, AC1L3ZWU, AC1Q2RVM, EINECS 253-241-0, 2-phenyl butyryl chloride, 2-Phenyl-butyryl chloride, 2-phenyl-Mutanoyl Chloride, AC1Q3G3W, SCHEMBL582647, .alpha.-Phenylbutyryl chloride, EC 253-241-0, MFCD00018811, SBB067924, ACMC-209ipa, 2-phenyl-2-ethylacetyl chloride, 2-Phenylbutyryl chloride, 98%, CTK3J1148, QGXMHCMPIAYMGT-UHFFFAOYSA-, KS-00000X4S, NSC86133, ANW-28508, CCG-40544, GEO-03394, NSC-86133, AKOS009157874, Benzeneacetyl chloride, .alpha.-ethyl-, RTR-015031, VZ34802, alpha-phenyl-alpha-ethyl acetyl chloride, TRA-0194471, AS-46729, L332, DB-049020, TR-015031, FT-0613330, P1665, A824182, I01-6621, F2190-0116, InChI=1/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3, 1,5-Pentanediyl diacrylate, C10-H11-Cl-O, CID98173, AR-1E4931, 3853-91-6,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.05g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.647g/mol
Monoisotopic Mass	182.05g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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