4-Nitrocinnamic acid

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Names

[ CAS No. ]:
619-89-6

[ Name ]:
4-Nitrocinnamic acid

[Synonym ]:
p-nitro-cinnamicaci
(2E)-3-(4-Nitrophenyl)acrylic acid
2-Propenoic acid, 3-(4-nitrophenyl)-, (2E)-
RARECHEM BK HC P253
EINECS 209-104-2
4-nitrocinnamic acide
p-Nitrocinnamic acid
4-nitrocinnamate acid
4-nitrocinnamic acid
MFCD00007277
4-Nitrociamic acid
2-Propenoic acid, 3- (4-nitrophenyl)-

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
346.0±17.0 °C at 760 mmHg

[ Melting Point ]:
200-202 °C(lit.)

[ Molecular Formula ]:
C₉H₇NO₄

[ Molecular Weight ]:
193.156

[ Flash Point ]:
153.9±9.4 °C

[ Exact Mass ]:
193.037506

[ PSA ]:
83.12000

[ LogP ]:
2.19

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.655

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GE0353000

CHEMICAL NAME :: Cinnamic acid, p-nitro-

CAS REGISTRY NUMBER :: 619-89-6

LAST UPDATED :: 199709

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C9-H7-N-O4

MOLECULAR WEIGHT :: 193.17

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >250 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Behavioral - rigidity (including catalepsy)

MUTATION DATA

TYPE OF TEST :: DNA repair

TEST SYSTEM :: Bacteria - Bacillus subtilis

DOSE/DURATION :: 500 ug/disc

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 170,11,1986

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
GE0352000

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Malonic acid
4-Nitrobenzaldehyde
Acrylic acid
1-Bromo-4-nitrobenzene
(E)-3-(4-nitrophenyl)prop-2-enenitrile
acetic acid
2-Propenal, 3- (4-nitrophenyl)-
1-Iodo-4-nitrobenzene
Zinc Acetate
4-Chloronitrobenzene

DownStream

1-(3-iodopropyl)-4-nitrobenzene
(R)-3-Amino-3-(4-nitrophenyl)propanoic acid
4-Nitro-3-phenyl-L-alanine
2-Propenamide,3-(4-nitrophenyl)-
4-Nitrobenzaldehyde
Glyoxylic acid
Formic Acid
Benzene,1-nitro-4-(2-nitroethenyl)-
Ethyl 4-nitrocinnamate
1-(4-Nitro-phenyl)-ethanone oxime

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Combined experimental and computational investigation of the absorption spectra of E- and Z-cinnamic acids in solution: The peculiarity of Z-cinnamics.

J. Photochem. Photobiol. B, Biol. 148 , 128-35, (2015)

Cinnamic acids are present in all kinds of plant tissues and hence in herbs and derived medicines, cosmetics and foods. The interest in their role in plants and their therapeutic applications has grow...