TRANS-3-CHLOROACRYLIC ACID

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Names

[ CAS No. ]:
2345-61-1

[ Name ]:
TRANS-3-CHLOROACRYLIC ACID

[Synonym ]:
TRANS-3-CHLOROPROPENOIC ACID
trans-3-Chloroacrylic acid
cis-3-chloro acrylic acid
3-cischloroacrylic acid
3-chloroarylic acid
MFCD00064237
Acrylic acid, 3-chloro-, trans-
(e)-3-chloro-2-propenoicacid
(2E)-3-Chloro-2-propenoic acid
EINECS 219-070-0

Chemical & Physical Properties

[ Density]:
1.371g/cm3

[ Boiling Point ]:
192.3ºC at 760mmHg

[ Melting Point ]:
82-85ºC

[ Molecular Formula ]:
C3H3ClO2

[ Molecular Weight ]:
106.50800

[ Flash Point ]:
70.1ºC

[ Exact Mass ]:
105.98200

[ PSA ]:
37.30000

[ LogP ]:
0.82350

[ Appearance of Characters ]:
Powder or Flakes | Light gray to beige-gray

[ Vapour Pressure ]:
0.216mmHg at 25°C

[ Index of Refraction ]:
1.4100 (estimate)

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
Soluble in water.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AS5960000
CHEMICAL NAME :
Acrylic acid, 3-chloro-, (E)-
CAS REGISTRY NUMBER :
2345-61-1
BEILSTEIN REFERENCE NO. :
1720279
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C3-H3-Cl-O2
MOLECULAR WEIGHT :
106.51
WISWESSER LINE NOTATION :
QV1U1G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00737

Safety Information

[ Hazard Codes ]:
C:Corrosive;

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
UN 3261 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
AS5960000

[ Packaging Group ]:
II

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Propiolic acidd
  • Acrylic acid
  • Propanoic acid,3,3,3-trichloro-2-hydroxy-
  • 2-Propenoic acid,3-chloro-, (2Z)-
  • Hydrochloric acid

DownStream

  • 7-Hydroxycoumarine
  • 3-diphenylphosphanylprop-2-enoic acid
  • 3-chloroprop-2-enoyl chloride
  • (E)-3-(4-methylphenyl)sulfanylprop-2-enoic acid
  • 3-(4-methylphenyl)sulfonylprop-2-enoic acid
  • 3,3-Dichloropropionic acid methyl ester
  • Methyl (2E)-3-chloroacrylate

Related Compounds

  • trans-3-chloroacrylic acid methyl ester
  • 3-chloroacrylic acid
  • trans-3-Bromocinnamic Acid
  • trans-3-Hydroxycinnamic acid
  • TRANS-3-PYRROLIDINECARBOXYLIC ACID, 1-(PHENYLMETHYL)-4-(TRIFLUOROMETHYL), ETHYL ESTER
  • trans-3-(acetic acid)-5-(3-butenyl)cyclopent-1-ene
  • 2-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-4-(4-isopropylphenyl)phthalazin-1(2H)-one
  • 2-((3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl)methyl)-4-(4-methoxyphenyl)phthalazin-1(2H)-one
  • 2-((3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl)methyl)-4-(4-methoxyphenyl)phthalazin-1(2H)-one
  • 2-((3-isopropyl-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)thio)-N-(2-methoxy-5-methylphenyl)acetamide
  • N-(2,6-dimethylphenyl)-2-((3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)thio)acetamide
  • N-(3-chloro-4-methylphenyl)-2-((3-(2-methoxyethyl)-5-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)thio)acetamide
  • 1-Amino-4-cyclobutylbutan-2-one
  • 2-Bromo-4-methylpyridine-3-carbonyl chloride
  • 2,2-Difluoropropanimidamide
  • 3-(1,4-Dithia-7-azaspiro[4.4]non-7-ylcarbonyl)cyclobutanone
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