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Cas Database

Name	5-Bromovaleryl chloride	EINECS	629-364-4
CAS No.	4509-90-4	Density	1.502 g/cm³
PSA	17.07000	LogP	2.31700
Solubility	Reacts with water.	Melting Point	N/A
Formula	C₅H₈BrClO	Boiling Point	214.1 °C at 760 mmHg
Molecular Weight	199.475	Flash Point	107.2 °C
Transport Information	UN 3265	Appearance	clear colorless to slightly yellow liquid
Safety	S26; S27; S36/37/39; S45; S28	Risk Codes	R34; R36/37
Molecular Structure		Hazard Symbols	C
Synonyms	Valerylchloride, 5-bromo- (7CI,8CI);5-Bromovaleric acid chloride;5-Bromovaleroylchloride;5-Bromovaleryl chloride, 98%;pentanoyl chloride, 5-bromo-;	Article Data	72

5-Bromovaleryl chloride Synthetic route

: 2067-33-6
5-bromopentanoic acid

: 4509-90-4
5-bromovaleroyl chloride

Conditions

Conditions	Yield
With thionyl chloride	100%
With oxalyl dichloride In benzene at 20 - 50℃; Inert atmosphere;	98%
With oxalyl dichloride In benzene at 50℃; for 3h;	97%

: 71250-83-4
5-Bromvaleriansaeuretrimethylsilylester

: 4509-90-4
5-bromovaleroyl chloride

Conditions

Conditions	Yield
With thionyl chloride

δ-bromo-n-valeric acid: δ-bromo-n-valeric acid

: 4509-90-4
5-bromovaleroyl chloride

Conditions

Conditions	Yield
With thionyl chloride

: 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one

: 4509-90-4
5-bromovaleroyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: SOCl2 View Scheme

: 79-37-8
oxalyl dichloride

: 2067-33-6
5-bromopentanoic acid

: 4509-90-4
5-bromovaleroyl chloride

Conditions

Conditions	Yield
In N-methyl-acetamide; dichloromethane
In N-methyl-acetamide; dichloromethane

: 2067-33-6
5-bromopentanoic acid

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 4509-90-4
5-bromovaleroyl chloride

Conditions

Conditions	Yield
With oxalyl dichloride In dichloromethane at 20℃;

: 4509-90-4
5-bromovaleroyl chloride

: 100-66-3
methoxybenzene

: 69287-12-3
5-bromo-1-(4-methoxyphenyl)pentan-1-one

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 0 - 20℃; for 2h;	100%
With aluminium trichloride Friedel-Crafts acylation;	85%
With aluminum (III) chloride In dichloromethane at 0 - 20℃; for 2h; Friedel-Crafts Acylation;
With metallic chloride at 50℃; Friedel-Crafts Acylation;
With aluminum (III) chloride In dichloromethane at 0 - 20℃; Inert atmosphere;

: 107-10-8
propylamine

: 4509-90-4
5-bromovaleroyl chloride

: 442913-00-0
5-Bromo-pentanoic acid propylamide

Conditions

Conditions	Yield
With pyridine In dichloromethane	100%
In N,N-dimethyl-formamide
In N,N-dimethyl-formamide

: 2859-67-8
3-(3-pyridyl)propan-1-ol

: 4509-90-4
5-bromovaleroyl chloride

: 5-bromo-pentanoic acid 3-pyridin-3-yl-propyl ester

Conditions

Conditions	Yield
With pyridine In dichloromethane	100%

: 4509-90-4
5-bromovaleroyl chloride

: 100-51-6
benzyl alcohol

: 60343-28-4
Benzyl 5-bromovalerate

Conditions

Conditions	Yield
With pyridine In dichloromethane	100%
With triethylamine In dichloromethane at 0 - 20℃; for 16.5h;	100%
With triethylamine In dichloromethane at 0 - 20℃;

5-Bromovaleryl chloride Chemical Properties

Molecular Structure of 5-Bromovaleryl chloride (CAS NO.4509-90-4):

IUPAC Name: 5-bromopentanoyl chloride
Empirical Formula: C₅H₈BrClO
Molecular Weight: 199.4734
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 17.07 Å²
Index of Refraction: 1.481
Molar Refractivity: 37.82 cm³
Molar Volume: 132.7 cm³
Surface Tension: 36.6 dyne/cm
Density: 1.502 g/cm³
Flash Point: 107.2 °C
Enthalpy of Vaporization: 45.04 kJ/mol
Boiling Point: 214.1 °C at 760 mmHg
Vapour Pressure: 0.158 mmHg at 25°C
Sensitive: Moisture Sensitive/Lachrymatory
SMILES: BrCCCCC(Cl)=O
InChI: InChI=1/C5H8BrClO/c6-4-2-1-3-5(7)8/h1-4H2
Product Categories: Acid Halides; Carbonyl Compounds; Organic Building Blocks

5-Bromovaleryl chloride Safety Profile

Hazard Codes: Corrosive C
Risk Statements: 34-36/37
R34:Causes burns.
R36/37:Irritating to eyes and respiratory system.
Safety Statements: 26-27-28-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
Hazard Note: Harmful/Corrosive/Lachrymatory/Moisture Sensitive
HazardClass: 8
PackingGroup: II

5-Bromovaleryl chloride Specification

5-Bromovaleryl chloride , with CAS number of 4509-90-4, can be called Valerylchloride, 5-bromo- (7CI,8CI) ; 5-Bromovaleric acid chloride ; 5-Bromovaleroylchloride ; 5-Bromovaleryl chloride, 98% ; pentanoyl chloride, 5-bromo- .

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