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trans-2-Phenyl-1-cyclopropanecarbonyl chloride

trans-2-Phenyl-1-cyclopropanecarbonyl chloride - CAS 939-87-7

Catalog:	BB041155
Product Name:	trans-2-Phenyl-1-cyclopropanecarbonyl chloride
CAS:	939-87-7
Synonyms:	(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride
Description:	trans-2-Phenyl-1-cyclopropanecarbonyl chloride (CAS# 939-87-7 ) is a useful research chemical.
Molecular Weight:	180.63
Molecular Formula:	C10H9ClO
Canonical SMILES:	C1C(C1C(=O)Cl)C2=CC=CC=C2
InChI:	InChI=1S/C10H9ClO/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1
InChI Key:	SODZBMGDYKEZJG-DTWKUNHWSA-N
Boiling Point:	278 °C at 760 mmHg
Density:	1.258 g/cm³
MDL:	MFCD00001278
LogP:	2.55550

Publication Number	Title	Priority Date
EP-3617181-A1	Synthesis of trans-2-phenylcyclopropylamine or a salt or solvate thereof	20180830
US-10858339-B2	Aryl cyclopropyl-amino-isoquinolinyl amide compounds	20170331
EP-2814490-A1	Inhibitors of human immunodeficiency virus replication	20120215
EP-2814490-B1	Inhibitors of human immunodeficiency virus replication	20120215
ES-2654173-T3	Human immunodeficiency virus replication inhibitors	20120215

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0341926
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.0341926
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6