N-Boc-2-bromo-3-methylaniline - CAS 936829-27-5
Catalog: |
BB041019 |
Product Name: |
N-Boc-2-bromo-3-methylaniline |
CAS: |
936829-27-5 |
Synonyms: |
tert-butyl N-(2-bromo-3-methylphenyl)carbamate |
IUPAC Name: | tert-butyl N-(2-bromo-3-methylphenyl)carbamate |
Description: | N-Boc-2-bromo-3-methylaniline (CAS# 936829-27-5 ) is a useful research chemical. |
Molecular Weight: | 286.16 |
Molecular Formula: | C12H16BrNO2 |
Canonical SMILES: | CC1=C(C(=CC=C1)NC(=O)OC(C)(C)C)Br |
InChI: | InChI=1S/C12H16BrNO2/c1-8-6-5-7-9(10(8)13)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15) |
InChI Key: | FGOFQNKFJKEIDE-UHFFFAOYSA-N |
LogP: | 4.17750 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2558069-A1 | Benzonapthyridine compositions and uses thereof | 20100413 |
US-2013122042-A1 | Benzonapthyridine compositions and uses thereof | 20100413 |
US-2018333406-A1 | Benzonapthyridine compositions and uses thereof | 20100413 |
US-9597326-B2 | Benzonapthyridine compositions and uses thereof | 20100413 |
WO-2011130379-A1 | Benzonapthyridine compositions and uses thereof | 20100413 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.03644 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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