ChemicalBook--->CAS DataBase List--->104-03-0

104-03-0

104-03-0 Structure

104-03-0 Structure
IdentificationMore
[Name]

4-Nitrophenylacetic acid
[CAS]

104-03-0
[Synonyms]

2-(4-NITROPHENYL)ACETIC ACID
4-NITRO-A-TOLUIC ACID
4-NITROBENZENEACETIC ACID
4-NITROPHENYLACETIC ACID
LABOTEST-BB LT00032156
NITROPHENYLACETIC ACID(4-)
P-NITROPHENYLACETIC ACID
RARECHEM AL BO 0237
(p-Nitophenyl)aceticacid
(p-nitrophenyl)-aceticaci
2-(p-nitrophenyl)aceticacid
4-nitro-benzeneaceticaci
4-Nitrophenylessigsαure
4-Nitrophenylethanoicacid
Aceticacid,(p-nitrophenyl)-
Benzeneaceticacid,4-nitro-
p-Nitro-α-toluicacid
paraNitro Phenyl Acetic Acid
4-Nitrobenzencacetic
4-Nitrophenylacetic acid 98%
[EINECS(EC#)]

203-168-5
[Molecular Formula]

C8H7NO4
[MDL Number]

MFCD00007383
[Molecular Weight]

181.15
[MOL File]

104-03-0.mol
Chemical PropertiesBack Directory
[Appearance]

Beige to yellow crystalline powder
[Melting point ]

150-155 °C(lit.)
[Boiling point ]

314.24°C (rough estimate)
[density ]

1.4283 (rough estimate)
[refractive index ]

1.5468 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[pka]

3.85(at 25℃)
[color ]

Beige to yellow
[PH]

2.98 at 22.8℃ and 10g/L
[Water Solubility ]

slightly soluble
[Merck ]

14,6622
[BRN ]

1911801
[InChI]

1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
[InChIKey]

YBADLXQNJCMBKR-UHFFFAOYSA-N
[SMILES]

OC(=O)Cc1ccc(cc1)[N+]([O-])=O
[LogP]

0.3 at 30℃ and pH7.72
[Uses]

Intermediate for dyestuffs, pharmaceuticals, penicillin precursors, local anesthetics.
[CAS DataBase Reference]

104-03-0(CAS DataBase Reference)
[EPA Substance Registry System]

104-03-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Environment (GHS09)
GHS05,GHS09
[Signal word ]

Danger
[Hazard statements ]

H318-H410
[Precautionary statements ]

P273-P280-P305+P351+P338-P391-P501
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[RTECS ]

AJ1130010
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29163900
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
[Toxicity]

dnr-bcs 500 mg/disc MUREAV170,11,86
Raw materials And Preparation ProductsBack Directory
[Raw materials]

p-Nitrophenylacetonitrile
[Preparation Products]

4-Aminophenylacetic acid-->1-(Chloromethyl)-3,5-bis(methylsulfonyl)benzene-->Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate-->Ethyl 4-aminophenylacetate-->Ethyl 4-nitrophenylacetate-->4-Chloro-5-(4-nitro-phenyl)-nicotinonitrile-->N-methoxy-N-methyl-2-(4-nitrophenyl)acetamide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-(4-Nitrophenyl)acetic acid(104-03-0).msds
Hazard InformationBack Directory
[Chemical Properties]

Beige to yellow crystalline powder
[Definition]

ChEBI: A monocarboxylic acid that is phenylacetic acid carrying a nitro substituent at position 4.
[Safety Profile]

Moderately toxic intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
[Purification Methods]

Crystallise the acid from EtOH/water (1:1), then from sodium-dried diethyl ether and dry it over P2O5 in vacuo. The styphnate has m 196.5-197o (prisms from EtOH). The amide has m 191o (from EtOH). [Beilstein 9 III 2284, 9 IV 1698.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Nitrophenylacetic acid(104-03-0)MS
4-Nitrophenylacetic acid(104-03-0)1HNMR
4-Nitrophenylacetic acid(104-03-0)IR1
4-Nitrophenylacetic acid(104-03-0)IR2
4-Nitrophenylacetic acid(104-03-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Nitrophenylacetic acid, 99%(104-03-0)
[Alfa Aesar]

4-Nitrophenylacetic acid, 98%(104-03-0)
[Sigma Aldrich]

104-03-0(sigmaaldrich)
[TCI AMERICA]

4-Nitrophenylacetic Acid,>98.0%(LC)(T)(104-03-0)
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