2-[4-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid - CAS 1823464-54-5
Catalog: |
BB050655 |
Product Name: |
2-[4-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid |
CAS: |
1823464-54-5 |
Synonyms: |
[4-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid; 1H-Pyrazole-1-acetic acid, 4-methyl-3-(trifluoromethyl)- |
IUPAC Name: | 2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid |
Molecular Weight: | 208.14 |
Molecular Formula: | C7H7F3N2O2 |
Canonical SMILES: | CC1=CN(N=C1C(F)(F)F)CC(=O)O |
InChI: | InChI=1S/C7H7F3N2O2/c1-4-2-12(3-5(13)14)11-6(4)7(8,9)10/h2H,3H2,1H3,(H,13,14) |
InChI Key: | URYBQPIPDBWRIK-UHFFFAOYSA-N |
Boiling Point: | 299.9±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.48±0.1 g/cm3 (Predicted) |
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 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.04596196 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.04596196 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
-
Catalog: BB045250
(1,3-Diphenyl-1H-pyrazol-4-yl)methylamine
Detail
-
Catalog: BB050668
(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl)methanol
Detail
-
Catalog: BB050789
(1,4-Dimethyl-1H-pyrazol-5-yl)methanol
Detail
-
Catalog: BB014397
(1,3,5-Trimethyl-1H-pyrazol-4-yl)methanol
Detail
-
Catalog: BB051687
(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-yl)methanol
Detail
-
Catalog: BB045656
([5-(1-Ethyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]thio)acetic acid
Detail
-
Catalog: BB045654
((4-Ethyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl)thio)acetic acid
Detail
-
Catalog: BB046900
(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Fluorinated Building Blocks
-
[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
-
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
-
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
-
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
-
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
-
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS