2-(Difluoromethyl)benzoic Acid - CAS 799814-32-7
Catalog: |
BB036442 |
Product Name: |
2-(Difluoromethyl)benzoic Acid |
CAS: |
799814-32-7 |
Synonyms: |
2-(difluoromethyl)benzoic acid; 2-(difluoromethyl)benzoic acid |
IUPAC Name: | 2-(difluoromethyl)benzoic acid |
Description: | 2-(Difluoromethyl)benzoic Acid (CAS# 799814-32-7) is a useful research chemical. |
Molecular Weight: | 172.13 |
Molecular Formula: | C8H6F2O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C(F)F)C(=O)O |
InChI: | InChI=1S/C8H6F2O2/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7H,(H,11,12) |
InChI Key: | CCADJZMMYROPCV-UHFFFAOYSA-N |
MDL: | MFCD1610191 |
LogP: | 2.32240 |
GHS Hazard Statement: | H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.44%): 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 |
CN-110655539-A | Method for synthesizing cis-difluoromethylcyclohexane derivatives and heterocyclic compounds by hydrogenation | 20190731 |
WO-2021013720-A1 | Novel heteroaryl-triazole compounds as pesticides | 20190723 |
JP-2020109086-A | Pharmaceutical composition | 20181228 |
JP-2021102653-A | Pharmaceutical composition | 20181228 |
JP-6868089-B2 | Medicine | 20181228 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.03358575 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03358575 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS