3-(3-Chlorophenyl)propionaldehyde - CAS 136415-83-3

Name: 3-(3-Chlorophenyl)propionaldehyde
Brand: BOC Sciences
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Catalog:	BB008356
Product Name:	3-(3-Chlorophenyl)propionaldehyde
CAS:	136415-83-3
Synonyms:	3-(3-chlorophenyl)propanal

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(3-chlorophenyl)propanal
Description:	3-(3-Chlorophenyl)propionaldehyde (CAS# 136415-83-3 ) is a useful research chemical.
Molecular Weight:	168.62
Molecular Formula:	C9H9ClO
Canonical SMILES:	C1=CC(=CC(=C1)Cl)CCC=O
InChI:	InChI=1S/C9H9ClO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5-7H,2,4H2
InChI Key:	GAMNINPBAOTMLA-UHFFFAOYSA-N
Boiling Point:	238.573 °C at 760 mmHg
Density:	1.139 g/cm³
MDL:	MFCD07772911
LogP:	2.47150

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P313, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2020116660-A1	Macrocyclic compound and use thereof	20181205
US-10577327-B2	Pyridine based ionic fluoride for catalyzing indole and tetrazole formation	20180611
US-2019375711-A1	Pyridine based ionic fluoride for catalyzing indole and tetrazole formation	20180611
US-2019276433-A1	Novel tetrahydroisoquinolines and terahydronaphthyridines for the treatment and prophylaxis of hepatitis b virus infection	20161103
US-11124495-B2	Tetrahydroisoquinolines and terahydronaphthyridines for the treatment of hepatitis B virus infection	20161103

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.0341926
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.0341926
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6