4-Methyl-3-nitrobenzoyl chloride - CAS 10397-30-5
Catalog: |
BB001278 |
Product Name: |
4-Methyl-3-nitrobenzoyl chloride |
CAS: |
10397-30-5 |
Synonyms: |
4-methyl-3-nitrobenzoyl chloride |
IUPAC Name: | 4-methyl-3-nitrobenzoyl chloride |
Description: | 4-Methyl-3-nitrobenzoyl chloride (CAS# 10397-30-5) is a useful research chemical. |
Molecular Weight: | 199.59 |
Molecular Formula: | C8H6ClNO3 |
Canonical SMILES: | CC1=C(C=C(C=C1)C(=O)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6ClNO3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3 |
InChI Key: | DXMHBBURYDVYAI-UHFFFAOYSA-N |
Boiling Point: | 185 °C (36 mmHg) |
Melting Point: | 20-21 °C |
Purity: | 95 % |
Density: | 1.37 g/cm3 |
Appearance: | Yellow liquid |
MDL: | MFCD00035747 |
LogP: | 2.80540 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.0036207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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