| Identification | More | [Name]
3-Chloropropionyl chloride | [CAS]
625-36-5 | [Synonyms]
3-CHLOROPROPIONIC ACID CHLORIDE
3-CHLOROPROPIONYL CHLORIDE
BETA-CHLOROPROPIONYL CHLORIDE
3-Chloropropanoyl chloride
3-chloro-propanoylchlorid
beta-Chloropropanoyl chloride
beta-Chloropropionic acid chloride
beta-Chloropropionoyl chloride
-Chloropropanoylchloride
Chloropropionyl chloride
Propionyl chloride, 3-chloro-
3-Chloropropionyl chlorode
3-CHLOROPROPIONYL CHLORIDE, TECH.
3-ChloropropionylChloride,~97%
Propanoyl chloride, 3-chloro-
3-CHLOROPROPIONYL CHLORIDE:SS-CHLOROPROPIONLY CHLORIDE
3-Chlorpropionylchlorid
3-CHLOROPROPIONYL CHLORIDE 99%
3-Chloropropionoic acid chloranhydride
b-Chloropropanoyl chloride | [EINECS(EC#)]
210-890-4 | [Molecular Formula]
C3H4Cl2O | [MDL Number]
MFCD00000747 | [Molecular Weight]
126.97 | [MOL File]
625-36-5.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colorless to dark brown liquid | [Melting point ]
-32 °C
| [Boiling point ]
143-145 °C(lit.)
| [density ]
1.33 g/mL at 25 °C(lit.)
| [vapor pressure ]
10.0 hPa | [refractive index ]
n20/D 1.457(lit.)
| [RTECS ]
UC3934000 | [Fp ]
146 °F
| [storage temp. ]
Flammables area | [solubility ]
Chloroform, Ethyl Acetate | [form ]
liquid
| [color ]
red-brown
| [PH]
<7 (H2O) | [explosive limit]
8.8-20.2%(V) | [Water Solubility ]
reacts | [Sensitive ]
Moisture Sensitive | [BRN ]
635814 | [Stability:]
Moisture Sensitive | [InChI]
1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2 | [InChIKey]
INUNLMUAPJVRME-UHFFFAOYSA-N | [CAS DataBase Reference]
625-36-5(CAS DataBase Reference) | [NIST Chemistry Reference]
Propanoyl chloride, 3-chloro-(625-36-5) | [EPA Substance Registry System]
625-36-5(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS06 | [Signal word ]
Danger | [Hazard statements ]
H302-H314-H330 | [Precautionary statements ]
P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338 | [Hazard Codes ]
T+ | [Risk Statements ]
R14:Reacts violently with water.
R22:Harmful if swallowed.
R26:Very Toxic by inhalation.
R34:Causes burns.
R35:Causes severe burns.
R10:Flammable. | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
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 label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S16:Keep away from sources of ignition-No smoking .
S8:Keep container dry . | [RIDADR ]
UN 3390 6.1/PG 1
| [WGK Germany ]
1
| [F ]
21 | [Autoignition Temperature]
460°C | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
I | [HS Code ]
29159080 | [Storage Class]
6.1A - Combustible, acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 2 Inhalation
Acute Tox. 4 Oral
Skin Corr. 1B |
| Hazard Information | Back Directory | [Description]
3-Chloropropionyl chloride is an important bifunctional reagent. It is capable of acylation and possesses a 2-chloro-ethyl fragment (CH2CH2Cl), which can be subjected to nucleophilic substitution and serves as a masked vinyl group. It can be used as a starting material in many reactions to construct a variety of (hetero)cyclic compounds. | [Chemical Properties]
Clear colorless to dark brown liquid | [Uses]
3-Chloropropionyl chloride is a reagent used in the synthesis of Beclamide (B119400), which is a chlorinated benzylpropanamide used as an anticonvulsant drug. It is used in the treatment of tonic-clonic seizyres and has sedative properties. | [Preparation]
3-Chloropropionyl chloride (1) is commercially available and can be prepared from β-propiolactone (2) and thionyl chloride.1 Other standard methods available for the preparation of acyl chlorides can also be applied: the reaction of acrylic acid (3) or 3-chloropropionic acid (4) with thionyl chloride, phosphoryl chloride, phosgene, or phosphorus trichloride.
 | [Reactions]
(1) The Friedel¨CCrafts acylation of tert-butylbenzene (5) with 3-chloropropionyl chloride (1) followed by cyclization provid- ed indanone 6, which was further transformed into urea derivative 7, a potent TRPV1 antagonist.
(2) A novel high-yielding one-pot microwave-assisted synthesis of condensed 5-substituted pyranoisoquinoline-1,6-diones 9 from 2-substituted isoquinoline-1,3-diones 8 and 3-chloropropionyl chloride (1) was reported.
(3) Acylation of 2-aminophenol (12) with 3-chloropropionyl chloride (1), followed by cyclization in the presence of polyphosphoric acid (PPA), gave benzoxazole 13, which was further reacted with 4-chlorophenyl-1-piperazine to yield the target benzo[d]oxazole analogue 14, a selective dopamine D4 receptor ligand. | [Flammability and Explosibility]
Nonflammable | [Synthesis]
3-Chloropropionyl chloride is produced by reaction of acrylic acid with hydrogen chloride and phosgene in the presence of, for example, dimethylformamide as catalyst, or by reaction of propiolactone with thionyl chloride. | [References]
[1] Patent: WO2005/92842, 2005, A1. Location in patent: Page/Page column 18-19
[2] Angewandte Chemie, 1960, vol. 72, # 22, p. 836 - 845
[3] Patent: US2013/317248, 2013, A1. Location in patent: Paragraph 0061; 0062
[4] Patent: US2013/317252, 2013, A1. Location in patent: Paragraph 0091 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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