AG003JVT

645-45-4 | 3-Phenylpropanoyl chloride

AG003JVT

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CAS Number	645-45-4
Catalog Number	AG003JVT(AGN-PC-0TCZ9E)
Chemical Name	3-Phenylpropanoyl chloride
EC Number	211-443-6
IUPAC Name	3-phenylpropanoyl chloride
InChI	InChI=1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key	MFEILWXBDBCWKF-UHFFFAOYSA-N
MDL Number	MFCD00000748
Molecular Formula	C9H9ClO
Molecular Weight	168.6202
NSC Number	2854
SMILES	C(CC(=O)Cl)c1ccccc1
Synonyms	3-Phenylpropanoyl chloride, Hydrocinnamoyl chloride, 3-Phenylpropionyl chloride, 645-45-4, Benzenepropanoyl chloride, Dihydrocinnamoyl chloride, Propionyl chloride, 3-phenyl-, Hydrocinnamoylchloride, beta-Phenylpropionyl chloride, 3-Phenylpropionic acid chloride, 3-phenyl propionyl chloride, NSC 2854, beta-Phenylpropanoyl chloride, EINECS 211-443-6, 3-phenyl-propionyl chloride, BRN 0742586, Hydrocinnamoyl chloride, 98%, AI3-18968, .beta.-Phenylpropanoyl chloride, .beta.-Phenylpropionyl chloride, MFEILWXBDBCWKF-UHFFFAOYSA-N, MFCD00000748, CCRIS 8627, phenylpropionylchloride, PubChem9173, phenylpropanoyl chloride, phenylpropionyl chloride, 3-phenylpropionylchloride, phenyl propionyl chloride, 3-Phenylpropanoyl chlovide, ACMC-1B8PS, 3-phenyl propanyl chloride, 3-phenyl propanoyl chloride, 3-phenyl-propanoyl chloride, AC1L21YE, AC1Q3GA7, SCHEMBL5864, 4-09-00-01762 (Beilstein Handbook Reference), beta-phenyl-propionyl chloride, KSC352Q3R, beta-(phenyl)propionyl chloride, DTXSID4060947, 3-phenyl-propionic acid chloride, CTK2F2838, MFEILWXBDBCWKF-UHFFFAOYSA-, NSC2854, 1-(3-Chloro-3-oxopropyl)benzene, KS-00000JL7, NSC-2854, STR02170, ZINC1641183, ANW-34904, SBB058859, AKOS009156897, 3-Phenylpropionyl chloride, tech grade, MCULE-2895233000, RTC-063861, TRA0034090, AJ-28611, AK109324, AN-47072, BP-10954, CJ-05881, CJ-26477, LS-77227, SC-06047, TC-063861, TL8004588, CS-0009936, FT-0616349, ST24042424, ST51039897, 12128-EP2316832A1, 12128-EP2316833A1, 44350-EP2292619A1, 44350-EP2311814A1, I01-2697, W-104828, F2190-0118, InChI=1/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2, Hydrocinnamyl chloride, C9H9ClO, 3-Phenylpropanyl chloride, 3-Phenyl propanoyl chlovide, C9-H9-Cl-O, CID64801, ACN-057433, H0696, 3-Phenylpropionyl chloride, 98% - 100G 100g,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.034g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.62g/mol
Monoisotopic Mass	168.034g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H331-H318-H332
Packing Group	Ⅱ
Precautionary statements	P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P261-P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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