ChemicalBook--->CAS DataBase List--->619-25-0

619-25-0

619-25-0 Structure

619-25-0 Structure
IdentificationMore
[Name]

3-Nitrobenzyl alcohol
[CAS]

619-25-0
[Synonyms]

3-NITROBENZYL ALCOHOL
(3-NITROPHENYL)METHANOL
LABOTEST-BB LT01985482
M-NITROBENZYL ALCOHOL
NITROBENZYLALCOHOL(3-)
NOBA
RARECHEM AL BD 0189
1-Hydroxymethyl-3-ni-trobenzen
3-nitro-benzenemethano
3-nitrobenzenemethanol
Benzyl alcohol, m-nitro-
m-nitro-benzylalcoho
3-NITROBENZYL ALCOHOL, FOR MASS SPECTROSCOPY
Benzenemethanol, 3-nitro-
3-Nitrobenzyl alcohol 97%
META-NITROBENZYLALCOHOL
3-NITROBENZYL ALCOHOL/(3-NITROPHENYL)METHANOL
3-NITROBENZYL ALCOHOL [MATRIX FOR FABMS AND LIQUID SIMS] 99+%
3-Nitrobenzyl alcohol, 99+%
3-Nitrobenzyl Alcohol [Matrix for FABMS and liquid SIMS]
[EINECS(EC#)]

210-588-2
[Molecular Formula]

C7H7NO3
[MDL Number]

MFCD00007273
[Molecular Weight]

153.14
[MOL File]

619-25-0.mol
Chemical PropertiesBack Directory
[Appearance]

yellow to brown crystalline low melting solid
[Melting point ]

30-32 °C(lit.)
[Boiling point ]

175-180 °C3 mm Hg(lit.)
[density ]

1.29 g/mL at 20 °C(lit.)
[refractive index ]

1.5730
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,2-8°C
[form ]

Solid
[pka]

13.82±0.10(Predicted)
[color ]

Yellow
[Water Solubility ]

It is soluble in water.
[Detection Methods]

HPLC,NMR
[BRN ]

2044769
[Dielectric constant]

22.0
[InChI]

1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2
[InChIKey]

CWNPOQFCIIFQDM-UHFFFAOYSA-N
[SMILES]

OCc1cccc(c1)[N+]([O-])=O
[CAS DataBase Reference]

619-25-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenemethanol, 3-nitro-(619-25-0)
[EPA Substance Registry System]

619-25-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P501-P261-P270-P271-P264-P280-P362+P364-P301+P312+P330-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xi,C,F
[Risk Statements ]

R11:Highly Flammable.
R34:Causes burns.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking .
[WGK Germany ]

3
[RTECS ]

DP0657000
[F ]

10-23
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29062900
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Potassium borohydride-->3-Nitrobenzaldehyde-->Benzenemethanol, 3-nitro-, 1-acetate-->Silane, trimethyl[(3-nitrophenyl)methoxy]--->3-Nitrobenzamide-->m-Nitrobenzoyl chloride-->Methyl 3-nitrobenzoate-->3-Nitrophenylboronic acid
[Preparation Products]

Benzaldehyde, 3-nitroso--->3-Aminobenzylalcohol-->Ethyl 3-nitrobenzoate-->Roxatidine-->N-(3-Formylphenyl)acetamide-->3,3'-Diaminobenzophenone-->3-Aminophenylacetic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Nitrobenzyl alcohol(619-25-0).msds
Hazard InformationBack Directory
[Chemical Properties]

yellow to brown crystalline low melting solid
[Uses]

3-Nitrobenzyl alcohol is the best substrate for cytosolic alcohol dehydrogenase. 3-Nitrobenzyl alcohol was employed as matrix during fast-atom bombardment mass spectrometry. It was used in isolation of palmitylated peptide fragment from bovine rhodopsin and its characterization by mass spectrometry. It has been used as a liquid matrix for fast atom bombardment[1] and matrix-assisted laser desorption ionization. In electrospray ionization 3-NBA is doped into low surface tension spray solvents to increase analyte charging.
[Definition]

ChEBI: 3-nitrobenzyl alcohol is a C-nitro compound.
[General Description]

3-Nitrobenzyl alcohol is the best substrate for cytosolic alcohol dehydrogenase.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Nitrobenzyl alcohol(619-25-0)MS
3-Nitrobenzyl alcohol(619-25-0)1HNMR
3-Nitrobenzyl alcohol(619-25-0)13CNMR
3-Nitrobenzyl alcohol(619-25-0)IR1
3-Nitrobenzyl alcohol(619-25-0)IR2
3-Nitrobenzyl alcohol(619-25-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Nitrobenzyl alcohol, 98%(619-25-0)
[Alfa Aesar]

3-Nitrobenzyl alcohol, 99+%(619-25-0)
[Sigma Aldrich]

619-25-0(sigmaaldrich)
[TCI AMERICA]

3-Nitrobenzyl Alcohol,>97.0%(GC)(619-25-0)
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