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Merck
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Documentos

N27314

Sigma-Aldrich

3-Nitrotoluene

99%

Sinónimos:

1-Methyl-3-nitrobenzene

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About This Item

Fórmula lineal:
CH3C6H4NO2
Número de CAS:
99-08-1
Peso molecular:
137.14
Beilstein/REAXYS Number:
1906910
EC Number:
202-728-6
MDL number:
MFCD00007265
UNSPSC Code:
12352100
PubChem Substance ID:
24897588
NACRES:
NA.22

vapor density

4.73 (vs air)

vapor pressure

1 mmHg ( 50.2 °C)

assay

99%

form

liquid

refractive index

n20/D 1.541 (lit.)

bp

230-231 °C (lit.)

mp

14-16 °C (lit.)

density

1.157 g/mL at 25 °C (lit.)

SMILES string

Cc1cccc(c1)[N+]([O-])=O

InChI

1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3

InChI key

QZYHIOPPLUPUJF-UHFFFAOYSA-N

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Categorías relacionadas

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - STOT RE 2

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

208.4 °F

flash_point_c

98 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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Methyl 3-nitrobenzoate 99%

Sigma-Aldrich

155977

Methyl 3-nitrobenzoate

Valeric acid ≥99%

Sigma-Aldrich

240370

Valeric acid

Tolueno anhydrous, 99.8%

Sigma-Aldrich

244511

Tolueno

Ácido nítrico ACS reagent, 70%

Sigma-Aldrich

438073

Ácido nítrico

Daniel Meyer et al.
Applied and environmental microbiology, 71(11), 6624-6632 (2005-11-05)
Escherichia coli JM101(pSPZ3), containing xylene monooxygenase (XMO) from Pseudomonas putida mt-2, catalyzes specific oxidations and reductions of m-nitrotoluene and derivatives thereof. In addition to reactions catalyzed by XMO, we focused on biotransformations by native enzymes of the E. coli host
J P Chism et al.
Drug metabolism and disposition: the biological fate of chemicals, 13(6), 651-657 (1985-11-01)
2-Nitrotoluene (2NT) induces DNA repair in the in vivo-in vitro hepatocyte unscheduled DNA synthesis assay in male, but not female, Fischer-344 rats. 3-Nitrotoluene (3NT) and 4-nitrotoluene (4NT) are inactive in both sexes. The structurally related rat hepatocarcinogen, 2,6-dinitrotoluene, which also
J K Dunnick et al.
Fundamental and applied toxicology : official journal of the Society of Toxicology, 22(3), 411-421 (1994-04-01)
Nitrotoluenes are high-production-volume chemicals used in the synthesis of agricultural chemicals and in various dyes. Because of differences in the metabolism of the three isomers and their capabilities to bind to DNA, comparative toxicity studies of o-, m-, and p-nitrotoluene
G Allenby et al.
Fundamental and applied toxicology : official journal of the Society of Toxicology, 16(4), 710-724 (1991-05-01)
A method for culturing isolated seminiferous tubules (ST) from adult rats for 1-3 days has been developed and optimized rigorously on the basis of the secretion of immunoactive inhibin under basal conditions and after maximal stimulation with rat FSH or
J P Chism et al.
Drug metabolism and disposition: the biological fate of chemicals, 12(5), 596-602 (1984-09-01)
The metabolism and excretion of 2-, 3-, and 4-nitrotoluene (2NT, 3NT, and 4NT, respectively) were studied in male Fischer 344 rats. Excreta were collected for 72 hr after an oral dose (200 mg/kg) of radiolabeled 2NT, 3NT, or 4NT. Radiolabel
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