4,5-difluoro-2-methylbenzoic acid - CAS 183237-86-7
Catalog: |
BB014043 |
Product Name: |
4,5-difluoro-2-methylbenzoic acid |
CAS: |
183237-86-7 |
Synonyms: |
4,5-difluoro-2-methylbenzoic acid; 4,5-difluoro-2-methylbenzoic acid |
IUPAC Name: | 4,5-difluoro-2-methylbenzoic acid |
Description: | 4,5-difluoro-2-methylbenzoic acid (CAS# 183237-86-7) is a useful research chemical. |
Molecular Weight: | 172.13 |
Molecular Formula: | C8H6F2O2 |
Canonical SMILES: | CC1=CC(=C(C=C1C(=O)O)F)F |
InChI: | InChI=1S/C8H6F2O2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H,11,12) |
InChI Key: | LDMHYYGJZWDBQL-UHFFFAOYSA-N |
Boiling Point: | 269 ℃ |
Melting Point: | 119-121 ℃ |
Purity: | 95 % |
Density: | 1.359 g/cm3 |
Appearance: | Powder |
MDL: | MFCD08062377 |
LogP: | 1.97140 |
GHS Hazard Statement: | H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2828262-A1 | Imidazotriazinone compounds | 20120319 |
US-2015191476-A1 | Imidazotriazinone Compounds | 20120319 |
US-2017327502-A1 | Imidazotriazinone compounds | 20120319 |
US-9725453-B2 | Imidazotriazinone compounds | 20120319 |
US-9969742-B2 | Imidazotriazinone compounds | 20120319 |
Complexity: | 184 |
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: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS