2-Chloro-6-methylbenzaldehyde - CAS 1194-64-5
Catalog: |
BB004507 |
Product Name: |
2-Chloro-6-methylbenzaldehyde |
CAS: |
1194-64-5 |
Synonyms: |
2-chloro-6-methylbenzaldehyde |
IUPAC Name: | 2-chloro-6-methylbenzaldehyde |
Description: | 2-Chloro-6-methylbenzaldehyde (CAS# 1194-64-5) is a useful research chemical. |
Molecular Weight: | 154.59 |
Molecular Formula: | C8H7ClO |
Canonical SMILES: | CC1=C(C(=CC=C1)Cl)C=O |
InChI: | InChI=1S/C8H7ClO/c1-6-3-2-4-8(9)7(6)5-10/h2-5H,1H3 |
InChI Key: | CCYFXIJPJFSTSU-UHFFFAOYSA-N |
Boiling Point: | 74 °C |
Melting Point: | 31 °C |
Purity: | 95 % |
Density: | 1.195 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | White to yellow powder |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD01934409 |
LogP: | 2.46090 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020249064-A1 | Compounds for modulating fxr | 20190614 |
AU-2018357878-A1 | Spirocyclic compounds as farnesoid X receptor modulators | 20171101 |
CA-3081424-A1 | Spirocyclic compounds as farnesoid x receptor modulators | 20171101 |
CN-111278817-A | Polycyclic compounds as farnesoid X receptor modulators | 20171101 |
CN-111278821-A | Spiro compounds as farnesoid X receptor modulators | 20171101 |
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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