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ChemicalBook--->CAS DataBase List--->555-16-8

555-16-8

555-16-8 Structure

555-16-8 Structure
IdentificationMore
[Name]

4-Nitrobenzaldehyde
[CAS]

555-16-8
[Synonyms]

4-FORMYLNITROBENZENE
4-NITROBENZALDEHYDE
AKOS BBS-00003206
p-Formylnitrobenzene
P-NITROBENZALDEHYDE
4-nitro-benzaldehyd
Benzaldehyde, p-nitro-
Benzaldehyde,4-nitro-
Benzaldehyde,p-nitro-
p-nitro-benzaldehyd
p-Nitrobenzaldehyde 4-Nitrobenzaldehyde
4-NITRO BENZALDEHYDE GR
4-Nitrobenzaldehyde,99%
NITROBENZALDEHYDE 4-
4-NITROBENZALDEHYDE/P-NITROBENZALDEHYDE
4-Nitrobenzenecarbaldehyde
[EINECS(EC#)]

209-084-5
[Molecular Formula]

C7H5NO3
[MDL Number]

MFCD00007346
[Molecular Weight]

151.12
[MOL File]

555-16-8.mol
Chemical PropertiesBack Directory
[Appearance]

YELLOW TO BROWN CRYSTALLINE POWDER
[Melting point ]

103-106 °C(lit.)
[Boiling point ]

273.1°C (rough estimate)
[density ]

1,496 g/cm3
[refractive index ]

1.5800 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

2.34g/l
[form ]

Crystalline Powder
[color ]

Yellow to brown
[Odor]

Odorless
[Water Solubility ]

Soluble in water, ethanol, benzene, glacial acetic acid. Slightly soluble in ether.
[Sensitive ]

Air Sensitive
[Detection Methods]

GC,NMR
[Merck ]

14,6587
[BRN ]

386796
[CAS DataBase Reference]

555-16-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzaldehyde, 4-nitro-(555-16-8)
[EPA Substance Registry System]

555-16-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36:Irritating to the eyes.
R43:May cause sensitization by skin contact.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin .
R68:Possible risk of irreversible effects.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

CU7350000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29130000
[Toxicity]

LD50 orally in Rabbit: 4700 mg/kg LD50 dermal Rat 16000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid-->Government regulation-->4-Nitrotoluene
[Preparation Products]

Chloramphenicol-->4-NITROSTYRENE-->3-(4-Nitrophenyl)propanoic acid-->3-(4-NITRO-PHENYL)-PROPAN-1-OL-->4-(4-NITROPHENYL)-3-BUTEN-2-ONE-->BODIPY-->1,4-Benzenediamine, N,N-dimethyl-N'-[(4-nitrophenyl)methylene]--->4-FLUORO-4'-NITROBENZOPHENONE-->P-NITROPHENYL PHOSPHATE-->5,15-Di(4-aminophenyl)-10,20-diphenyl porphine-->2-(2-Aminophenyl)benzothiazole-->N-CAPRIC ACID N-DECYL ESTER-->4-HYDROXY-B-NITROSTYRENE-->4-ACETAMIDOBENZYL ALCOHOL-->4'-(4-AMINOPHENYL)-2,2':6',2''-TERPYRIDINE-->5-(4-NITRO-PHENYL)-2H-TETRAZOLE-->4-NITROCINNAMALDEHYDE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Nitrobenzaldehyde(555-16-8).msds
Hazard InformationBack Directory
[Chemical Properties]

YELLOW TO BROWN CRYSTALLINE POWDER
[Uses]

4-Nitrobenzaldehyde is a benzaldehyde with a nitro group in the para position. It is used as a reagent in decarboxylative aldol reactions that are catalyzed by lipases and proteases in organic co-solvent mixtures.
[Definition]

ChEBI: A C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 78, p. 252, 1956 DOI: 10.1021/ja01582a072
Tetrahedron Letters, 28, p. 4285, 1987 DOI: 10.1016/S0040-4039(00)96486-4
[Purification Methods]

Purify it as for m-nitrobenzaldehyde above. [Beilstein 7 IV 589.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Nitrobenzaldehyde(555-16-8)MS
4-Nitrobenzaldehyde(555-16-8)1HNMR
4-Nitrobenzaldehyde(555-16-8)13CNMR
4-Nitrobenzaldehyde(555-16-8)IR1
4-Nitrobenzaldehyde(555-16-8)IR2
4-Nitrobenzaldehyde(555-16-8)Raman
4-Nitrobenzaldehyde(555-16-8)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Nitrobenzaldehyde, 99%(555-16-8)
[Alfa Aesar]

4-Nitrobenzaldehyde, 99%(555-16-8)
[Sigma Aldrich]

555-16-8(sigmaaldrich)
[TCI AMERICA]

4-Nitrobenzaldehyde,>95.0%(GC)(555-16-8)
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