3-Nitrophenylaceticacid

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Names

[ CAS No. ]:
1877-73-2

[ Name ]:
3-Nitrophenylaceticacid

[Synonym ]:
3-nitrophenylethanoic acid
3-Nitrobenzeneacetic acid
EINECS 217-512-7
Benzeneacetic acid, 3-nitro-
m-nitrophenyl-acetic acid
3-Nitrophenylacetic acid
Benzeneacetic acid,3-nitro
MFCD00007278
(3-Nitrophenyl)acetic acid
3-Nitrophenylaceticacid

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
373.8±17.0 °C at 760 mmHg

[ Melting Point ]:
117-120 °C(lit.)

[ Molecular Formula ]:
C8H7NO4

[ Molecular Weight ]:
181.145

[ Flash Point ]:
169.8±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

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ1129900
CHEMICAL NAME :
Acetic acid, (m-nitrophenyl)-
CAS REGISTRY NUMBER :
1877-73-2
BEILSTEIN REFERENCE NO. :
2050088
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H7-N-O4
MOLECULAR WEIGHT :
181.16

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
AJ1129900

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (3-Nitrophenyl)acetonitrile
  • carbon monoxide
  • 3-Nitrobenzyl bromide
  • 3-Nitrobenzyl chloride
  • 3'-Nitroacetophenone
  • 3-Aminophenylacetic acid
  • 2,4-dibromo-3a,7a-dihydroindenone
  • 3-Nitrobenzaldehyde
  • 3-Nitrobenzenemethanol
  • 3-Nitrobenzoyl chloride

DownStream

  • 2-(3-AMINOPHENYL)-1-MORPHOLIN-4-YL-ETHANONE
  • Piperazine
  • 2-(3-Mercaptophenyl)acetic acid
  • 3-nitrobenzeneethanol
  • Methyl (3-nitrophenyl)acetate
  • 3-Aminophenylacetic acid
  • Ethyl (3-nitrophenyl)acetate
  • 1-(2-Bromoethyl)-3-nitrobenzene
  • Benzeneacetamide,3-nitro-N-phenyl-
  • 4-(3-NITRO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER

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

Synthesis and application of an azobenzene amino acid as a light-switchable turn element in polypeptides.

Nat. Protoc. 2(1) , 161-7, (2007)

The synthesis of an azobenzene amino acid (aa) for use as a photo-inducible conformational switch in polypeptides is described. The compound can be easily incorporated into an aa sequence by solid-pha...

A mild oxidation of aromatic amines. Webb KS and Seneviratne S.

Tetrahedron Lett. 36(14) , 2377-2378, (1995)

Photodecarboxylation of nitrophenylacetate ions. Margerum JD and Petrusis CT.

J. Am. Chem. Soc. 91(10) , 2467-2472, (1969)


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