m-Nitrocinnamic acid

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Names

[ CAS No. ]:
555-68-0

[ Name ]:
m-Nitrocinnamic acid

[Synonym ]:
m-Nitrocinnamic acid
(2E)-3-(3-Nitrophenyl)acrylic acid
2-Propenoic acid, 3- (3-nitrophenyl)-
EINECS 209-104-2
3-nitrocinnamic acid
2-Propenoic acid, 3-(3-nitrophenyl)-, (2E)-
MFCD00007277

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
372.1±25.0 °C at 760 mmHg

[ Melting Point ]:
200-202 °C(lit.)

[ Molecular Formula ]:
C₉H₇NO₄

[ Molecular Weight ]:
193.156

[ Flash Point ]:
166.5±11.6 °C

[ Exact Mass ]:
193.037506

[ PSA ]:
83.12000

[ LogP ]:
2.31

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.655

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GE0352000

CHEMICAL NAME :: Cinnamic acid, m-nitro-

CAS REGISTRY NUMBER :: 555-68-0

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

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 :: 5 mg/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 ]:
29163900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

3-Nitrobenzaldehyde
acetic acid
Malonic acid
1-Iodo-3-nitrobenzene
Acrylic acid
Sodium 2-oxopropanoate
Piperidine
Ethanoic anhydride
Iodonium, bis(3-nitrophenyl)-, bromide
sodium alpha-hydroxy-m-nitrotoluene-alpha-sulphonate

DownStream

ethyl 3-nitrocinnamate
8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione
Acetamide
3-Nitrobenzaldehyde
Glyoxylic acid
3-Nitrobenzoic acid
Benzene,1-nitro-3-(2-nitroethenyl)-
3-Nitrostyrene

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

The detection and comparison of the genotoxic effects of some nitro aromatic compounds by the umu and SOS chromotest systems.

Toxicol. Lett. 108(1) , 63-8, (1999)

Four nitroarenes were tested in two standard genotoxicity assay systems using three well-known bacterial tester strains. The results were as follows: 4-nitroquinoline l-oxide (4NQO) was positive in Qu...

Unusual [2+ 2] photocycloaddition between tryptamine and 3-nitrocinnamic acid in the solid state. Ito Y, et al.

Chem. Lett. 29(3) , 288-289, (2000)

m-Nitrocinnamic acid
M-NITROCINNAMIC ACID
m-nitrocinnamic acid chloride
m-nitrocinnamic acid chloride
α-methyl-m-nitrocinnamic acid
trans-m-nitrocinnamic acid ethyl ester
4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
(4-Methyl-tetrahydro-furan-2-yl)-methanol
N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
tert-Butyl-DL-alanine
4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine