1-Chloro-3-phenylpropane supplier

Name
1-Chloro-3-phenylpropane
EINECS 203-210-2
CAS No. 104-52-9
Article Data82
CAS DataBase
Density 1.029 g/cm³
Solubility slightly soluble in water
Melting Point -27 °C
Formula C₉H₁₁Cl
Boiling Point 220.2 °C at 760 mmHg
Molecular Weight 154.639
Flash Point 87.2 °C
Transport Information
Appearance clear colorless to light yellow liquid
Safety 23-28-37
Risk Codes 38
Molecular Structure
Hazard Symbols Xi
Synonyms g-Chloropropylbenzene;g-Phenylpropyl chloride;NSC 16939;3-Chloro-1-phenylpropane;3-Phenyl-1-chloropropane;3-Phenylpropyl chloride;(3-Chloropropyl)benzene;
PSA 0.00000
LogP 2.85800

Synthetic route

: 122-97-4
3-Phenyl-1-propanol

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
Stage #1: 3-Phenyl-1-propanol With diisopropyl-carbodiimide; copper(l) chloride In tetrahydrofuran at 100℃; for 0.0833333h; microwave irradiation; Stage #2: With acetyl chloride In tetrahydrofuran at 150℃; for 0.0833333h; microwave irradiation; Further stages.;	100%
With 1,3,5-trichloro-2,4,6-triazine; N,N-dimethyl-formamide In dichloromethane at 25℃; for 0.25h;	99%
With thionyl chloride In N,N-dimethyl-formamide at 60℃; Solvent; Reflux; Industrial scale;	99.4%

: 69804-99-5
3-phenylpropanol methanesulfonate

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With 1-butyl-3-methylimidazolium chloride at 50℃; for 1h; Inert atmosphere; Green chemistry;	99%

: 24734-68-7
3-Phenylpropane-1-thiol

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With tetrachloromethane; cross-linked polymer (containing 2.50 mmol of phosphine/g) for 2h; Heating;	98%

: 866942-18-9
3-phenylpropyl 2-(methoxyethoxyethylcarboxy)-1-benzosulfonate

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With lithium chloride In acetone for 0.5h; Product distribution / selectivity; Heating / reflux;	98%

: 4119-41-9
1-iodo-3-phenylpropan

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With tetrabutyl-ammonium chloride at 20 - 60℃; for 5h;	98%
With 1,10-Phenanthroline; iron(II) chloride In acetonitrile at 60℃; for 0.5h;	83%
With tetrabutyl-ammonium chloride In acetone at 60℃; for 12h; Inert atmosphere;	24 mg

: 3-phenylpropyl 2-(heptylcarboxy)-1-benzosulfonate

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With lithium chloride In acetone for 6h; Product distribution / selectivity; Heating / reflux;	96%

: 18776-12-0
3-chloro-1-phenyl-propan-1-ol

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With indium(III) chloride; diphenylsilyl chloride In dichloromethane at 20℃; for 3h;	95%

: 14629-60-8
trimethyl(3-phenylpropoxy)silane

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With 4-aminophenyl diphenylphosphinite; N-chloro-succinimide In dichloromethane for 2h; Heating;	95%

: 3742-75-4
3-phenylpropyl 4-methylbenzenesulfonate

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With 1-butyl-3-methylimidazolium chloride at 50℃; for 1h; Inert atmosphere; Green chemistry;	95%
With lithium chloride In acetone for 18h; Product distribution / selectivity; Heating / reflux;	93%

: 866942-16-7
3-phenylpropyl 2-(methylcarboxy)-1-benzenesulfonate

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With lithium chloride In acetone for 4h; Product distribution / selectivity; Heating / reflux;	94%

: 593-71-5
Chloroiodomethane

: 122-78-1
phenylacetaldehyde

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
Stage #1: Chloroiodomethane; phenylacetaldehyde With methyllithium lithium bromide In tetrahydrofuran at -78℃; for 0.75h; Inert atmosphere; Stage #2: With hexylsilane; tris(pentafluorophenyl)borate In dichloromethane at 20℃; for 1h; Inert atmosphere; chemoselective reaction;	90%

: 122-97-4
3-Phenyl-1-propanol

: 98-07-7
Benzotrichlorid

A: 98-87-3
benzylidene dichloride

B: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With TOP; phenylsilane In neat (no solvent) at 100℃; for 24h; Appel Halogenation; Inert atmosphere;	A n/a B 85%

...Expand

: 936-59-4
3-chloropropiophenone

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With polymethylhydrosiloxane; tris(pentafluorophenyl)borate In dichloromethane at 20℃;	84%

: 115975-11-6
diphenylmethanone O-(4-phenylbutanoyl) oxime

A: 119-61-9
benzophenone

B: 67-72-1
hexachloroethane

C: 104-52-9
phenylpropyl chloride

D: 983-79-9
benzophenone azine

Conditions

Conditions	Yield
With tetrachloromethane Ambient temperature; Irradiation; Yields of byproduct given;	A n/a B n/a C 82% D n/a

...Expand

: 32315-10-9
bis(trichloromethyl) carbonate

: 122-97-4
3-Phenyl-1-propanol

: 121-44-8
triethylamine

A: 92322-64-0
γ-Phenylpropyl-N,N-diethylcarbamat

B: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere;	A n/a B 82%

...Expand

: 501-52-0
3-Phenylpropionic acid

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With gallium(III) trichloride; Hexamethyldisiloxane; copper dichloride In 1,2-dichloro-ethane at 80℃; for 8h; Sealed tube; Inert atmosphere;	81%
Multi-step reaction with 2 steps 1: indium(III) bromide; 1,1,3,3-Tetramethyldisiloxane; iodine / chloroform / 1.08 h / 20 - 60 °C / Sealed tube; Inert atmosphere 2: tetrabutyl-ammonium chloride / 5 h / 20 - 60 °C View Scheme
Multi-step reaction with 4 steps 1: indium(III) bromide / chloroform / 1 h / 20 °C / Sealed tube; Inert atmosphere 2: indium(III) bromide; triethylsilane / chloroform / 1 h / 60 °C / Sealed tube; Inert atmosphere 3: indium(III) bromide; trimethylsilyl iodide / chloroform / 5 h / 60 °C / Sealed tube; Inert atmosphere 4: tetrabutyl-ammonium chloride / 5 h / 20 - 60 °C View Scheme

: 122-97-4
3-Phenyl-1-propanol

A: 637-59-2
1-Bromo-3-phenylpropane

B: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With 1,3,5-trichloro-2,4,6-triazine; N,N-dimethyl-formamide; sodium bromide In dichloromethane at 25℃; for 0.25h;	A 80% B n/a

: 112471-51-9
2-(3-phenylpropoxy)tetrahydro-2H-pyran

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With 4-aminophenyl diphenylphosphinite; N-chloro-succinimide In dichloromethane for 4h; Heating;	80%

: 1,3-diisopropyl-2-(3-phenyl-propyl)-isourea

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With N-chloro-succinimide In tetrahydrofuran at 160℃; for 0.0833333h; microwave irradiation;	77%

: 1-(3-phenylpropyl)-5-aza-1-stanna-bicyclo[3.3.3]undecane

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With trichloroisocyanuric acid In acetonitrile at 20℃; Inert atmosphere; Sealed tube;	65%

: 59457-26-0
1-chloro-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one

: 122-97-4
3-Phenyl-1-propanol

A: 3-phenylpropyl-2-iodobenzoate

B: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With triphenylphosphine In dichloromethane at 20℃; for 0.166667h; Inert atmosphere;	A n/a B 58%

...Expand

: 2-(1-chloro-3-phenyl-propyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With trimethylsilyl trifluoromethanesulfonate; 4-tert-Butylcatechol; 2-methoxybenzo[d][1,3,2]dioxaborole; trans-di-O-tert-butyl hyponitrite In methanol; dichloromethane; benzene at 70℃; for 16h; Inert atmosphere;	56%

: phenylmagnesium bromide

: 109-70-6
1,3-chlorobromopropane

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With 1,3-bis-(diphenylphosphino)propane; cobalt(II) chloride In tetrahydrofuran at -15℃; for 0.5h;	47%

: 637-59-2
1-Bromo-3-phenylpropane

A: 300-57-2
allylbenzene

B: 103-65-1
Propylbenzene

C: 496-11-7
INDANE

D: 1087-49-6
1,6-diphenylhexane

E: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With tetrachloromethane for 96h; Product distribution; Mechanism; Ambient temperature; Irradiation; further phenylalkyl halides;	A 26% B 21% C 8% D 6% E n/a

...Expand

: 70770-06-8
1-benzyloxy-3-phenylpropane

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With pyridine hydrochloride at 200℃; for 1h; Microwave irradiation; Ionic liquid;	24%

: 122-97-4
3-Phenyl-1-propanol

: 530-62-1
1,1'-carbonyldiimidazole

A: 102162-49-2
bis(3-phenylpropyl) carbonate

B: 104-52-9
phenylpropyl chloride

C: 170895-01-9
1-(3-phenylpropoxycarbonyl)-1H-imidazole

Conditions

Conditions	Yield
Stage #1: 3-Phenyl-1-propanol; 1,1'-carbonyldiimidazole In acetonitrile at 20℃; for 1h; Molecular sieve; Stage #2: With dibenzo-18-crown-6; potassium chloride; toluene-4-sulfonic acid In acetonitrile for 24h; Reflux; Molecular sieve;	A n/a B 11% C n/a

...Expand

: 632-02-0
3-chloropropyl p-toluenesulfonate

: 60-29-7
diethyl ether

: phenylmagnesium bromide

: 104-52-9
phenylpropyl chloride

...Expand

: 632-02-0
3-chloropropyl p-toluenesulfonate

: phenylmagnesium bromide

: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With diethyl ether

: 60-29-7
diethyl ether

: 5411-48-3
sulfuric acid bis-(2-chloroethyl) ester

: benzylmagnesium chloride

: 104-52-9
phenylpropyl chloride

...Expand

: 104-52-9
phenylpropyl chloride

: 75-36-5
acetyl chloride

: 91427-06-4
1-[4-(3-chloropropyl)phenyl]ethanone

Conditions

Conditions	Yield
Stage #1: acetyl chloride With aluminum (III) chloride In dichloromethane at -7 - 20℃; for 0.5h; Stage #2: phenylpropyl chloride In dichloromethane at 0℃; Stage #3: With hydrogenchloride In dichloromethane; water at 10℃; for 1.5h;	100%
aluminium chloride In dichloromethane	98%

: 1074-82-4
potassium phtalimide

: 104-52-9
phenylpropyl chloride

: 54981-86-1
2-(3-phenylpropyl)-1H-isoindole-1,3(2H)-dione

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 16h; Temperature; Industrial scale;	99.9%
In N,N-dimethyl-formamide at 80℃; for 2h;

: 120703-53-9
Bis(trimethylsilyl)methyl-methylether

: 104-52-9
phenylpropyl chloride

: 120703-47-1
(4-Methoxy-4,4-bis-trimethylsilanyl-butyl)-benzene

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane	98%
With n-butyllithium 1) hexane, THF, 0 deg C, 20 min, 2a) -78 deg C, 5 min, 2b) 0 deg C, 1 h; Yield given. Multistep reaction;

: 104-52-9
phenylpropyl chloride

: 21763-00-8
1-bromo-3-chloro-1-phenylpropane

Conditions

Conditions	Yield
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane	98%
With N-Bromosuccinimide; dibenzoyl peroxide In chlorobenzene at 85℃; for 4h;	68%
With Oxone; potassium bromide In nitromethane at 50℃; for 24h;	47%

: 104-52-9
phenylpropyl chloride

: 936-59-4
3-chloropropiophenone

Conditions

Conditions	Yield
With Oxone; potassium bromide In dichloromethane; water at 20℃; for 24h; visible light irradiation;	97%

: 104-52-9
phenylpropyl chloride

: 524689-75-6
S-pent-4-yn-1-yl ethanethioate

: 1010447-25-2
(pent-4-ynyl)(3-phenylpropyl)sulfane

Conditions

Conditions	Yield
Stage #1: S-pent-4-yn-1-yl ethanethioate With potassium hydroxide In methanol at 0℃; for 0.25h; Inert atmosphere; Stage #2: phenylpropyl chloride In methanol at 50℃; for 2h;	96%

: 3419-91-8
N-(2-pyridyl)indole

: 104-52-9
phenylpropyl chloride

: 2-(3-phenyl-n-propyl)-1-(pyridin-2-yl)-1H-indole

Conditions

Conditions	Yield
With [2,2]bipyridinyl; (thf)2NiBr2; lithium hexamethyldisilazane In toluene at 60℃; for 16h;	96%
With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; C27H37N2(1+)*Cl(1-); cyclohexylmagnesiumchloride; cobalt(II) aceylacetonate at 23℃; for 16h; Inert atmosphere;	89%

: tert-butyl 4-(((4-oxo-3,4-dihydroquinazolin-7-yl)oxy)methyl)piperidine-1-carboxylate

: 104-52-9
phenylpropyl chloride

: tert-butyl 4-({[4-oxo-3-(3-phenylpropyl)-3,4-dihydroquinazolin-7-yl]oxy}methyl)piperidine-1-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 65℃;	95%
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 65℃; for 12h;	95%

: 13329-40-3
4-Iodoacetophenone

: 104-52-9
phenylpropyl chloride

: 113138-08-2
1-(4-(3-phenylpropyl)phenyl)ethan-1-one

Conditions

Conditions	Yield
Stage #1: phenylpropyl chloride With indium; lithium iodide In tetrahydrofuran at 60℃; for 24h; Stage #2: 4-Iodoacetophenone With bis-triphenylphosphine-palladium(II) chloride; lithium chloride In N,N-dimethyl-formamide at 100℃; for 24h; Reagent/catalyst;	95%

: 104-52-9
phenylpropyl chloride

: 103-80-0
phenylacetyl chloride

: 115372-90-2
1-<4-(3-chloropropyl)phenyl>-2-phenyl-1-ethanone

Conditions

Conditions	Yield
With aluminium trichloride In tetrachloromethane at 8 - 20℃;	94%
With aluminum (III) chloride In tetrachloromethane	94%
With aluminium trichloride In dichloromethane for 0.5h; Ambient temperature;	69%

: 3058-39-7
4-iodobenzonitrile

: 104-52-9
phenylpropyl chloride

: 139597-68-5
4-(3-phenyl-propyl)-benzonitrile

Conditions

Conditions	Yield
Stage #1: phenylpropyl chloride With indium; lithium iodide In tetrahydrofuran at 60℃; for 24h; Stage #2: 4-iodobenzonitrile With bis-triphenylphosphine-palladium(II) chloride; lithium chloride In N,N-dimethyl-formamide at 100℃; for 24h;	94%

: 75-15-0
carbon disulfide

: 111-26-2
hexan-1-amine

: 104-52-9
phenylpropyl chloride

: S-(3-phenylpropyl) n-hexyldithiocarbamate

Conditions

Conditions	Yield
Stage #1: carbon disulfide With N-benzyl-trimethylammonium hydroxide In dimethyl sulfoxide at 20℃; for 0.333333h; Stage #2: hexan-1-amine In dimethyl sulfoxide at 20℃; for 1h; Stage #3: phenylpropyl chloride In dimethyl sulfoxide at 20℃; for 3h;	92%

...Expand

: 3943-74-6
4-hydroxy-3-methoxybenzoic acid methyl ester

: 104-52-9
phenylpropyl chloride

: 1354549-23-7
C18H20O4

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 24h; Inert atmosphere; Reflux;	91%

: 104-52-9
phenylpropyl chloride

: 4119-41-9
1-iodo-3-phenylpropan

Conditions

Conditions	Yield
With sodium iodide In acetone at 60℃; for 12h; Sealed tube;	90%
With sodium iodide In acetone Reflux;	86%
With ethanol; sodium iodide
With sodium iodide In acetone for 60h; Heating;

: 104-52-9
phenylpropyl chloride

: 27126-20-1
(3-azidopropyl)benzene

Conditions

Conditions	Yield
With sodium azide; tetraethylammonium bromide In dimethyl sulfoxide for 48h;	90%
With sodium azide In 1-methyl-pyrrolidin-2-one; water at 80℃; for 2h;
With sodium azide In 2,4-dichlorophenoxyacetic acid dimethylamine at 100℃; for 0.166667h; Microwave irradiation;
With sodium azide In N,N-dimethyl-formamide

: 104-52-9
phenylpropyl chloride

: 111-64-8
n-octanoic acid chloride

: p-octanoyl chloropropylbenzene

Conditions

Conditions	Yield
With aluminum (III) chloride at -5℃;	90%

: 111-26-2
hexan-1-amine

: 124-38-9
carbon dioxide

: 104-52-9
phenylpropyl chloride

: 3-phenylpropyl n-hexyl-carbamate

Conditions

Conditions	Yield
Stage #1: hexan-1-amine; carbon dioxide; N-benzyl-trimethylammonium hydroxide In dimethyl sulfoxide at 90℃; for 1h; Stage #2: phenylpropyl chloride In dimethyl sulfoxide at 90℃; for 3.5h;	88%

...Expand

: 557-66-4
ethanamine hydrochloride

: 104-52-9
phenylpropyl chloride

: 150-59-4
alverine

Conditions

Conditions	Yield
With tetrabutylammomium bromide; sodium hydroxide at 85 - 90℃; Reagent/catalyst;	88%

: 609-73-4
o-nitroiodobenzene

: 104-52-9
phenylpropyl chloride

: 1-nitro-2-(3-phenylpropyl)benzene

Conditions

Conditions	Yield
Stage #1: phenylpropyl chloride With indium; lithium iodide In tetrahydrofuran at 60℃; for 24h; Stage #2: o-nitroiodobenzene With bis-triphenylphosphine-palladium(II) chloride; lithium chloride In N,N-dimethyl-formamide at 100℃; for 24h;	87%

1-Chloro-3-phenylpropane Chemical Properties

IUPAC Name: 3-Chloropropylbenzene
Empirical Formula: C₉H₁₁Cl
Molecular Weight: 154.6366 g/mol
EINECS: 203-210-2
Water solubility: Slightly soluble
Canonical SMILES: C1=CC=C(C=C1)CCCCl
Index of Refraction: 1.515
Molar Refractivity: 45.28 cm³
Molar Volume: 150.1 cm³
Density: 1.029 g/cm³
Flash Point: 87.2 °C
Melting point: -27 °C
Surface Tension: 33.8 dyne/cm
Enthalpy of Vaporization: 43.8 kJ/mol
Boiling Point: 220.2 °C at 760 mmHg
Vapour Pressure of 1-Chloro-3-phenylpropane (CAS NO.104-52-9): 0.17 mmHg at 25 °C

1-Chloro-3-phenylpropane Toxicity Data With Reference

1-Chloro-3-phenylpropane (CAS NO.104-52-9) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.

1-Chloro-3-phenylpropane Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 38
R38: Irritating to skin.
Safety Statements: 23-28-37
S23: Do not breathe vapour.
S28: After contact with skin, wash immediately with plenty of soap-suds.
S37: Wear suitable gloves.
WGK Germany of 1-Chloro-3-phenylpropane (CAS NO.104-52-9): 2

1-Chloro-3-phenylpropane Specification

1-Chloro-3-phenylpropane (CAS NO.104-52-9), its Synonyms are (3-Chloropropyl)benzene ; Benzene, (3-chloropropyl)- . It could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents, strong bases. And also prevent it to broken down into hazardous decomposition products: hydrogen chloride, carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported. It is clear colorless to light yellow liquid.

Product Name

1-Chloro-3-phenylpropane

Synthetic route

1-Chloro-3-phenylpropane Chemical Properties

1-Chloro-3-phenylpropane Toxicity Data With Reference

1-Chloro-3-phenylpropane Safety Profile

1-Chloro-3-phenylpropane Specification

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