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Home > Encyclopedia > 3-Chloropropionic acid

3-Chloropropionic acid

3-Chloropropionic acid structure

3-Chloropropionic acid 

structure
  • CAS No:

    107-94-8

  • Formula:

    C3H5ClO2

  • Chemical Name:

    3-Chloropropionic acid

  • Synonyms:

    Propanoic acid,3-chloro-;Propionic acid,3-chloro-;Propionic acid,β-chloro-;3-Chloropropanoic acid;β-Chloropropionic acid;β-Monochloropropionic acid;3-Chloropropionic acid;NSC 174;NSC 2183

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

3-CHLOROPROPIONIC ACID is a white crystalline solid with a sharp odor. Denser than water. (USCG, 1999)


3-chloropropionic acid appears as a white crystalline solid with a sharp odor. Denser than water. (USCG, 1999)


3-chloropropionic acid appears as a white crystalline solid with a sharp odor. Denser than water. (USCG, 1999)

3-Chloropropionic acid Basic Attributes

108.52400

108.52

203-534-4

R5J180FN9Z

2183|174

3261

DTXSID5021546

LEAFLETS FROM PETROLEUM ETHER|CRYSTALS

2915900090

Characteristics

37.30000

0.69990

3-chloropropionic acid appears as a white crystalline solid with a sharp odor. Denser than water. (USCG, 1999)

1.2214 g/cm3 @ Temp: 20 °C

41 °C

200 °C

>230 °F

1.4398 (40ºC)

MISCIBLE WITH ETHER

K: @ 25 °C= 1.01X10-4

SOMEWHAT HYGROSCOPIC

Water soluble.

Acids, Carboxylic

2-CHLOROPROPIONIC ACID reacts exothermically with bases. Reacts with aqueous solutions containing a base and dissolves if neutralization generates a soluble salt. May react with active metals to form gaseous hydrogen and a metal salt. May corrode or dissolve iron, steel, and aluminum parts and containers. Reacts with cyanide salts to generate gaseous hydrogen cyanide. Reacts with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides to generate flammable and/or toxic gases and heat. Reacts with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Reacts with carbonates and bicarbonates to generate a harmless gas (carbon dioxide) but some heat. Can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. May initiate polymerization reactions or catalyze other chemical reactions. Fires produces highly toxic chloride fumes (USCG, 1999).

Safety Information

III

8

UN 3261 8/PG 2

1

R21/22;R34

S26-S36/37/39-S45

UE8750000

C:Corrosive;

P280-P305 + P351 + P338-P310

H314

Special Hazards of Combustion Products: Contain toxic chloride fumes. Behavior in Fire: May produce toxic and irritating fumes. (USCG, 1999)

|Danger|H302 (21.15%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 52 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|P201, P202, P260, P264, P270, P273, P280, P281, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P307+P311, P308+P313, P310, P321, P363, P405, and P501

Fire Extinguishing Agents: Small fires: dry chemical, CO 2 , water spray or foam; large fires: water spray, fog or foam. (USCG, 1999)

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2016)

Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999)

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

Drug Information

Contact may cause skin and eye burns. Harmful if swallowed. (USCG, 1999)

EYES OR SKIN: Immediately flush with running water for at least 15 min.; hold eyelids open if necessary. Remove and isolate contaminated clothing and shoes at the site. INGESTION: If victim is unconscious or having convulsions, do nothing except keep victim warm. (USCG, 1999)

THE ALPHA-POSITION /OF THE HALOGEN RELATIVE TO BETA-POSITION/ IS ASSOC WITH A MUCH GREATER TOXICITY.

3-chloropropanoic acid

3-Chloropropionic acid Use and Manufacturing

Methods of Manufacturing

OXIDATION OF 3-CHLOROPROPIONALDEHYDE WITH NITRIC ACID|PREPARED BY THE HYDROLYSIS OF ETHYLENE CYANOHYDRIN WITH HYDROCHLORIC ACID; BY THE OXIDATION OF BETA-CHLOROPROPIONALDEHYDE OR OF TRIMETHYLENE CHLOROHYDRIN BY NITRIC ACID. MOUREU, CHAUX, ORG SYN 8, 54 (1928); POWELL, ORG SYN 8, 58 (1928); PAAL, LOBECK, BER 64, 2142 (1931).

Uses

CHEMICAL INTERMEDIATE

Production

(1972) No Data|(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS

Propanoic acid, 3-chloro-: ACTIVE

GAS CHROMATOGRAPHY DETECTION AT 70 °COLUMN TEMP WITH HELIUM GAS AS CARRIER & A KATHAROMETER DETECTOR GAVE SATISFACTORY SEPARATION.

Computed Properties

Molecular Weight:108.52
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:107.9978071
Monoisotopic Mass:107.9978071
Topological Polar Surface Area:37.3
Heavy Atom Count:6
Complexity:52.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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