100-14-1
Product Name:
4-Nitrobenzyl chloride
Formula:
C7H6ClNO2
Synonyms:
α-Chloro-4-nitrotoluene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Benzene, 1-(chloromethyl)-4-nitro- is a solid. (EPA, 1998) |
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Color/Form | Plates or needles from alcohol |
Melting Point | 159.8 °F (EPA, 1998) |
Solubility | Insoluble (NTP, 1992) |
Density | 1.5647 (NTP, 1992) - Denser than water; will sink |
Refractive Index | Index of refraction: 1.5647 at 62 °C |
Other Experimental Properties | UV: 6794 (Sadtler Research Laboratories Spectral Collection) /Benzyl chloride, 2-nitro/ |
Chemical Classes | Nitrogen Compounds -> Nitros, Aromatic |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 171.58 g/mol |
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XLogP3 | 2.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
Exact Mass | 171.0087061 g/mol |
Monoisotopic Mass | 171.0087061 g/mol |
Topological Polar Surface Area | 45.8 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 138 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Benzene, 1-(chloromethyl)-4-nitro- is a solid. (EPA, 1998)