N-(tert-Butoxycarbonyl)-3-bromoaniline - CAS 25216-74-4
Catalog: |
BB018802 |
Product Name: |
N-(tert-Butoxycarbonyl)-3-bromoaniline |
CAS: |
25216-74-4 |
Synonyms: |
tert-butyl N-(3-bromophenyl)carbamate |
IUPAC Name: | tert-butyl N-(3-bromophenyl)carbamate |
Description: | N-(tert-Butoxycarbonyl)-3-bromoaniline (CAS# 25216-74-4) is a useful research chemical. |
Molecular Weight: | 272.14 |
Molecular Formula: | C11H14BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC(=CC=C1)Br |
InChI: | InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14) |
InChI Key: | VDFBCTSISJDKNW-UHFFFAOYSA-N |
Boiling Point: | 279.6 ℃ at 760 mmHg |
Melting Point: | 86-89 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.398 g/cm3 |
MDL: | MFCD01006618 |
LogP: | 3.86910 |
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 |
CN-113214113-A | Preparation method of aniline para-trifluoromethylated derivative | 20210407 |
WO-2021116446-A1 | Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
WO-2021116451-A1 | Heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
US-2020239476-A1 | Gpr35 modulators | 20190124 |
WO-2020154492-A1 | Gpr35 modulators | 20190124 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.02079 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.02079 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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Amines and Anilines
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