4-Bromo-3,5-dimethylphenyl N-methylcarbamate - CAS 672-99-1
Catalog: |
BB033241 |
Product Name: |
4-Bromo-3,5-dimethylphenyl N-methylcarbamate |
CAS: |
672-99-1 |
Synonyms: |
(4-bromo-3,5-dimethylphenyl) N-methylcarbamate |
IUPAC Name: | (4-bromo-3,5-dimethylphenyl) N-methylcarbamate |
Description: | 4-Bromo-3,5-dimethylphenyl N-methylcarbamate (CAS# 672-99-1) is a useful research chemical. |
Molecular Weight: | 258.11 |
Molecular Formula: | C10H12BrNO2 |
Canonical SMILES: | CC1=CC(=CC(=C1Br)C)OC(=O)NC |
InChI: | InChI=1S/C10H12BrNO2/c1-6-4-8(14-10(13)12-3)5-7(2)9(6)11/h4-5H,1-3H3,(H,12,13) |
InChI Key: | ZOZFMTULOYRWEL-UHFFFAOYSA-N |
Boiling Point: | 315.5 °C at 760 mmHg |
Density: | 1.398 g/cm3 |
MDL: | MFCD00027941 |
LogP: | 3.17500 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021285921-A1 | Electronic id database and detection method for pesticide compounds in edible agro-products based on gc-q-orbitrap | 20180416 |
CA-2341113-A1 | Phase change inks | 20000522 |
US-6288141-B1 | Ink compositions | 20000403 |
JP-2000327977-A | Ink composition and printing process | 19990427 |
JP-4633884-B2 | Ink composition and printing process | 19990427 |
PMID | Publication Date | Title | Journal |
22907043 | 20120928 | A solid-phase microextraction-gas chromatographic approach combined with triple quadrupole mass spectrometry for the assay of carbamate pesticides in water samples | Journal of chromatography. A |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.00514 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.00514 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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