2-Chloro-4,5-dimethoxybenzoic acid - CAS 60032-95-3
Catalog: |
BB030589 |
Product Name: |
2-Chloro-4,5-dimethoxybenzoic acid |
CAS: |
60032-95-3 |
Synonyms: |
2-chloro-4,5-dimethoxybenzoic acid; 2-chloro-4,5-dimethoxybenzoic acid |
IUPAC Name: | 2-chloro-4,5-dimethoxybenzoic acid |
Description: | 2-Chloro-4,5-dimethoxybenzoic acid (CAS# 60032-95-3) is a useful research chemical. |
Molecular Weight: | 216.62 |
Molecular Formula: | C9H9ClO4 |
Canonical SMILES: | COC1=C(C=C(C(=C1)C(=O)O)Cl)OC |
InChI: | InChI=1S/C9H9ClO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12) |
InChI Key: | CHMWIAHMSOASPM-UHFFFAOYSA-N |
Boiling Point: | 326.9 °C at 760 mmHg |
Melting Point: | 183-185 °C |
Purity: | 95 % |
Density: | 1.337 g/cm3 |
MDL: | MFCD00079727 |
LogP: | 2.05540 |
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 |
CN-105884657-A | Nitrogen Formyloxy-substituted chlorobenzophenone derivative | 20160429 |
AU-2015239548-A1 | Amido-substituted azole compounds as inhibitors of TNKS1 and/or TNKS2 | 20140402 |
CA-2944370-A1 | Amido-substituted azole compounds | 20140402 |
CN-106459015-A | Amido-substituted azole compounds as inhibitors of TNKS1 and/or TNKS2 | 20140402 |
EP-3126337-A2 | Amido-substituted azole compounds | 20140402 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0189365 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0189365 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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