74080
4-Nitrotoluene
purum, ≥98.0% (GC)
Synonym(s):
1-Methyl-4-nitrobenzene
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About This Item
Linear Formula:
CH3C6H4NO2
CAS Number:
Molecular Weight:
137.14
EC Number:
202-808-0
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1906911
MDL number:
vapor density
4.7 (vs air)
vapor pressure
5 mmHg ( 85 °C)
grade
purum
assay
≥98.0% (GC)
autoignition temp.
734 °F
bp
238 °C (lit.)
mp
51-53 °C, 52-54 °C (lit.)
density
1.392 g/mL at 25 °C (lit.)
SMILES string
Cc1ccc(cc1)[N+]([O-])=O
InChI
1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChI key
ZPTVNYMJQHSSEA-UHFFFAOYSA-N
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Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2 - STOT RE 2
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
222.8 °F - closed cup
flash_point_c
106.00 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Regulatory Information
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Shuang Song et al.
Journal of hazardous materials, 144(1-2), 532-537 (2006-12-05)
p-Nitrotoluene (PNT) is a nitroaromatic compound that is hazardous to humans and is a suspected hormone disrupter. The degradation of PNT in aqueous solution by ozonation (O(3)) combined with sonolysis (US) was investigated in laboratory-scale experiments in which pH, initial
Avi Cagan et al.
The Analyst, 133(5), 585-587 (2008-04-23)
A highly selective and rapid electrochemical assay of the improvised explosive urea nitrate (UN) is reported. The method involves a short ( approximately 10 s) acid-catalyzed reaction of UN with 4-nitrotoluene (NT) followed by a rapid ( approximately 2 s)
Patricia Guerra et al.
Journal of separation science, 31(15), 2891-2898 (2008-07-31)
Ion mobility spectrometry (IMS) is routinely used in screening checkpoints for the detection of explosives and illicit drugs but it mainly relies on the capture of particles on a swab surface for the detection. Solid phase microextraction (SPME) has been