N-(tert-Butoxycarbonyl)-4-bromoaniline - CAS 131818-17-2
Catalog: |
BB007498 |
Product Name: |
N-(tert-Butoxycarbonyl)-4-bromoaniline |
CAS: |
131818-17-2 |
Synonyms: |
tert-butyl N-(4-bromophenyl)carbamate |
IUPAC Name: | tert-butyl N-(4-bromophenyl)carbamate |
Description: | N-(tert-Butoxycarbonyl)-4-bromoaniline (CAS# 131818-17-2) is a useful research chemical. |
Molecular Weight: | 272.14 |
Molecular Formula: | C11H14BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=C(C=C1)Br |
InChI: | InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14) |
InChI Key: | VLGPDTPSKUUHKR-UHFFFAOYSA-N |
Boiling Point: | 281.1 °C at 760 mmHg |
Melting Point: | 103-106 °C (lit.) |
Purity: | 98 % |
Density: | 1.398 g/cm3 |
Appearance: | Powder |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD01006612 |
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-113292476-A | Sulfaindole derivative and preparation method and application thereof | 20210518 |
CN-112979652-A | Isopropanol bridged purine azole compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 20210205 |
CN-112194631-A | Schiff base bridged sulfaimidazole compound and preparation method and application thereof | 20200918 |
CN-111909095-A | Synthetic method of metronidazole benzoate | 20200806 |
CN-111714452-A | Slow-release and film-forming hemorrhoid injection and preparation method thereof | 20200624 |
Complexity: | 217 |
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: | 3.7 |
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Amines and Anilines
Nitrogen Compounds
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