2-chloro-6-fluoro-3-methylphenylacetic acid - CAS 261762-92-9
Catalog: |
BB019169 |
Product Name: |
2-chloro-6-fluoro-3-methylphenylacetic acid |
CAS: |
261762-92-9 |
Synonyms: |
2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid; 2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid |
IUPAC Name: | 2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid |
Description: | 2-chloro-6-fluoro-3-methylphenylacetic acid (CAS# 261762-92-9) is used in the preparation of substituted piperazines as CB1 antagonists. |
Molecular Weight: | 202.61 |
Molecular Formula: | C9H8ClFO2 |
Canonical SMILES: | CC1=C(C(=C(C=C1)F)CC(=O)O)Cl |
InChI: | InChI=1S/C9H8ClFO2/c1-5-2-3-7(11)6(9(5)10)4-8(12)13/h2-3H,4H2,1H3,(H,12,13) |
InChI Key: | IZLFHWYEGHXIRN-UHFFFAOYSA-N |
Boiling Point: | 302 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.356 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD01631365 |
LogP: | 2.41460 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017260125-A1 | Aromatic sulfonamide derivatives | 20160503 |
AU-2017260125-A9 | Aromatic sulfonamide derivatives | 20160503 |
CA-3022793-A1 | Aromatic sulfonamide derivatives | 20160503 |
EP-3458443-A1 | Aromatic sulfonamide derivatives | 20160503 |
JP-2019519484-A | Aromatic sulfonamide derivative | 20160503 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0196853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0196853 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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