4-Nitrophenylacetic acid

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Names

[ CAS No. ]:
104-03-0

[ Name ]:
4-Nitrophenylacetic acid

[Synonym ]:
4-Nitrophenylaceticacid
para-nitrophenyl acetic acid
4-Nitrophenylacetic
EINECS 203-168-5
(4-Nitrophenyl)acetic acid
RARECHEM AL BO 0237
4-Nitrophenylacetic acid
4-Nitrobenzeneacetic acid
para-nitrophenylethanoic acid
4-NITRO-A-TOLUIC ACID
P-NITROPHENYLACETIC ACID
4-Nitrobenzencacetic
4-Nitrophenylacid acid
MFCD00007383
Benzeneacetic acid, 4-nitro-
2-(4-Nitrophenyl)acetic acid

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
377.6±17.0 °C at 760 mmHg

[ Melting Point ]:
150-155 °C(lit.)

[ Molecular Formula ]:
C₈H₇NO₄

[ Molecular Weight ]:
181.145

[ Flash Point ]:
171.6±9.4 °C

[ Exact Mass ]:
181.037506

[ PSA ]:
83.12000

[ LogP ]:
1.24

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

[ Index of Refraction ]:
1.598

[ Water Solubility ]:
slightly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AJ1130010

CHEMICAL NAME :: Acetic acid, (p-nitrophenyl)-

CAS REGISTRY NUMBER :: 104-03-0

LAST UPDATED :: 199709

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C8-H7-N-O4

MOLECULAR WEIGHT :: 181.16

WISWESSER LINE NOTATION :: WNR D1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 830 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
AJ1130010

[ HS Code ]:
29163900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-Nitrophenylacetonitrile
BENZENEMETHANOL, 4-NITRO-.ALPHA.-(TRICHLOROMETHYL)-
(4-Aminophenyl)acetic acid
diethyl (E)-(1-(dimethylamino)-2-(4-nitrophenyl)vinyl)phosphonate
Phenylacetic acid
(p-Nitrophenyl)acetic acid p-tolyl ester
Methyl (4-nitrophenyl)acetate

DownStream

Diethyl (4-nitrophenyl)malonate
2-[(4-nitrophenyl)methyl]-2-phenyl-1,3-dioxolane
Methyl 2-(4-aminophenyl)acetate
Ethyl 2-(4-nitrophenyl)acetate
Ethyl p-aminophenylacetate
1-(2-Bromoethyl)-4-nitrobenzene
2-(4-nitrophenyl)prop-2-en-1-ol
1-methoxy-3-[2-(4-nitrophenyl)ethenyl]benzene
1-(4-NITROPHENYL)-6-PHENYLHEXATRIENE, FOR FLUORESCENCE*
2-(4-nitrophenyl)-1-phenyl-ethanol

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%

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