2-Chloro-4-methylbenzaldehyde - CAS 50817-80-6
Catalog: |
BB027225 |
Product Name: |
2-Chloro-4-methylbenzaldehyde |
CAS: |
50817-80-6 |
Synonyms: |
2-chloro-4-methylbenzaldehyde |
IUPAC Name: | 2-chloro-4-methylbenzaldehyde |
Description: | 2-Chloro-4-methylbenzaldehyde (CAS# 50817-80-6) is a useful research chemical. |
Molecular Weight: | 154.59 |
Molecular Formula: | C8H7ClO |
Canonical SMILES: | CC1=CC(=C(C=C1)C=O)Cl |
InChI: | InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)8(9)4-6/h2-5H,1H3 |
InChI Key: | OSPMNRDGMUPWNO-UHFFFAOYSA-N |
Boiling Point: | 234.7 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.195 g/cm3 |
MDL: | MFCD10703515 |
LogP: | 2.46090 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113214182-A | Benzisothiazole compound and preparation method thereof | 20210519 |
CN-110606855-A | Polysubstituted benzothienoisoquinoline, derivative and synthesis method thereof | 20190711 |
CN-110041273-A | 2- (the chloro- 4- aminomethyl phenyl of 2-) quinazoline -4 (3H) -one class compound and its medical usage | 20190529 |
CN-110041273-B | 2- (2-chloro-4-methylphenyl) quinazoline-4 (3H) -ketone compound and medical application thereof | 20190529 |
WO-2020239050-A1 | 2-(2-chloro-4-methylphenyl)quinazoline-4(3h)-ketone compound and medical use thereof | 20190529 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0185425 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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