2-Chloro-5-nitrotoluene - CAS 13290-74-9
Catalog: |
BB007654 |
Product Name: |
2-Chloro-5-nitrotoluene |
CAS: |
13290-74-9 |
Synonyms: |
1-chloro-2-methyl-4-nitrobenzene |
IUPAC Name: | 1-chloro-2-methyl-4-nitrobenzene |
Description: | 2-Chloro-5-nitrotoluene (CAS# 13290-74-9) is a useful research chemical. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)[N+](=O)[O-])Cl |
InChI: | InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3 |
InChI Key: | BGDCQZFFNFXYQC-UHFFFAOYSA-N |
Boiling Point: | 94-96 ℃ / 4 mmHg |
Melting Point: | 40-44 ℃ |
Purity: | 98 % |
Density: | 94 |
Appearance: | White to light yellow crystal powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00041430 |
LogP: | 3.07980 |
GHS Hazard Statement: | H302 (98.08%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
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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: | 3.3 |
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