5-Chloro-2-nitrotoluene - CAS 5367-28-2
Catalog: |
BB028313 |
Product Name: |
5-Chloro-2-nitrotoluene |
CAS: |
5367-28-2 |
Synonyms: |
4-chloro-2-methyl-1-nitrobenzene |
IUPAC Name: | 4-chloro-2-methyl-1-nitrobenzene |
Description: | 5-Chloro-2-nitrotoluene (CAS# 5367-28-2) is a useful research chemical. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3 |
InChI Key: | NSMZCUAVEOTJDS-UHFFFAOYSA-N |
Boiling Point: | 124-126 ℃ (16 mmHg) |
Melting Point: | 23-25 ℃ |
Purity: | 95 % |
Density: | 1.32 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Keep tightly closed. |
MDL: | MFCD00024579 |
LogP: | 3.07980 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021050992-A1 | Usp30 inhibitors and uses thereof | 20190911 |
CN-110624582-A | Catalyst for depositing metal particles in carbon nano tube and preparation and application thereof | 20190827 |
CN-110627652-A | Application of carbon nano tube embedded metal particle catalyst in reaction of synthesizing halogenated aniline by selective catalytic hydrogenation of halogenated nitrobenzene | 20190827 |
CN-113302178-A | Diamine, polyimide derived therefrom, and molded article thereof | 20190129 |
KR-20210025535-A | compound | 20180629 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0087061 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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