2-Propenoic acid,2-cyano-3-(2-thienyl)-, ethyl ester

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Names

[ CAS No. ]:
31330-51-5

[ Name ]:
2-Propenoic acid,2-cyano-3-(2-thienyl)-, ethyl ester

[Synonym ]:
2-Thienylidene ethyl-cyanoacetate
ethyl (E)-2-cyano-3-(2-thienyl)-2-propenoate
2-Cyano-3-(2-thienyl)acrylic acid ethyl ester
Ethyl 2-cyano-3-thien-2-ylacrylate
2-Cyano-3-(2-thienyl)propenoic acid ethyl ester
ethyl (E)-2-cyano-3-(thienyl)-2-propenoate
RARECHEM AK ML 0028
(E)-ethyl 2-cyano-3-(thiophen-2-yl)acrylate
ethyl 2-thiophenylidenecyanoacetate

Chemical & Physical Properties

[ Density]:
1.247g/cm3

[ Boiling Point ]:
340.8ºC at 760mmHg

[ Melting Point ]:
79-82ºC

[ Molecular Formula ]:
C10H9NO2S

[ Molecular Weight ]:
207.24900

[ Flash Point ]:
159.9ºC

[ Exact Mass ]:
207.03500

[ PSA ]:
78.33000

[ LogP ]:
2.21818

[ Index of Refraction ]:
1.588

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XM7800000
CHEMICAL NAME :
2-Thiopheneacrylic acid, alpha-cyano-, ethyl ester
CAS REGISTRY NUMBER :
31330-51-5
BEILSTEIN REFERENCE NO. :
0163675
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H9-N-O2-S
MOLECULAR WEIGHT :
207.26
WISWESSER LINE NOTATION :
T5SJ B1UYCN&VO2

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 :
56 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#02961

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Thiophenecarboxaldehyde
  • Ethyl cyanoacetate
  • Thiophen-2-ylmethanol

DownStream

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 7-Fluoro-3-hydroxyquinolin-2(1H)-one
  • (2-Ethylbutyl)[1-(pyridin-3-yl)ethyl]amine
  • 4-Hydrazinophthalonitrile
  • (2S,3S)-2-Amino-3-methyl-N-propylpentanamide
  • L-isoleucine isopropyl amide
  • (2S,3S)-2-Amino-N-butyl-3-methylpentanamide
  • (2S,3S)-2-Amino-N-(3-methoxypropyl)-3-methylpentanamide
  • Pentanamide, 2-amino-N-[(4-fluorophenyl)methyl]-3-methyl-, (2S,3S)-
  • (E)-3-(4-(4-Chloro-3-methylphenoxy)phenyl)acrylic acid
  • Pentanamide, 2-amino-N-(2-methoxy-5-methylphenyl)-3-methyl-, (2R,3R)-rel-
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