5-HEXENOIC ACID, 6-(m-NITROPHENYL)-4-OXO-

Modify Date: 2025-09-23 11:51:22

5-HEXENOIC ACID, 6-(m-NITROPHENYL)-4-OXO- Structure
5-HEXENOIC ACID, 6-(m-NITROPHENYL)-4-OXO- structure
 Common Name 5-HEXENOIC ACID, 6-(m-NITROPHENYL)-4-OXO-
CAS Number 74038-57-6 Molecular Weight 249.21900
Density 1.358g/cm3 Boiling Point 481.3ºC at 760 mmHg
Molecular Formula C12H11NO5 Melting Point N/A
MSDS N/A Flash Point 206.7ºC

 Names

Name (E)-6-(3-nitrophenyl)-4-oxohex-5-enoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.358g/cm3
Boiling Point 481.3ºC at 760 mmHg
Molecular Formula C12H11NO5
Molecular Weight 249.21900
Flash Point 206.7ºC
Exact Mass 249.06400
PSA 100.19000
LogP 2.56510
Index of Refraction 1.616
InChIKey VBUVBQVVUXMCTD-SNAWJCMRSA-N
SMILES O=C(O)CCC(=O)C=Cc1cccc([N+](=O)[O-])c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MP8200000
CHEMICAL NAME :
5-Hexenoic acid, 6-(m-nitrophenyl)-4-oxo-
CAS REGISTRY NUMBER :
74038-57-6
BEILSTEIN REFERENCE NO. :
3344617
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H11-N-O5
MOLECULAR WEIGHT :
249.24
WISWESSER LINE NOTATION :
WNR C1U1V2VQ

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 :
100 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#02477

 Synonyms

5-Hexenoic acid,6-(3-nitrophenyl)-4-oxo
5-HEXENOIC ACID,6-(m-NITROPHENYL)-4-OXO
6-(m-Nitrophenyl)-4-oxo-5-hexenoic acid
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Chemsrc provides CAS#:74038-57-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 5-HEXENOIC ACID, 6-(m-NITROPHENYL)-4-OXO->> amp version: 5-HEXENOIC ACID, 6-(m-NITROPHENYL)-4-OXO-

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