4-Bromo-N-methylaniline - CAS 6911-87-1
Catalog: |
BB033701 |
Product Name: |
4-Bromo-N-methylaniline |
CAS: |
6911-87-1 |
Synonyms: |
Benzenamine, 4-bromo-N-methyl-; 4-Bromo-N-methylbenzenamine; Aniline, p-bromo-N-methyl-; (4-Bromophenyl)methylamine; 1-Bromo-4-(methylamino)benzene; N-(4-Bromophenyl)-N-methylamine; N-Methyl-4-bromoaniline; N-Methyl-p-bromoaniline; p-Bromo-N-methylaniline |
Related CAS: | 211060-12-7 (4-Bromo-N-methylaniline, radical ion(1+))
|
IUPAC Name: | 4-bromo-N-methylaniline |
Description: | 4-Bromo-N-methylaniline (CAS# 6911-87-1) is a aniline based compound known to exhibit mutagenic properties. |
Molecular Weight: | 186.05 |
Molecular Formula: | C7H8BrN |
Canonical SMILES: | CNC1=CC=C(C=C1)Br |
InChI: | InChI=1S/C7H8BrN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3 |
InChI Key: | AYVPVDWQZAAZCM-UHFFFAOYSA-N |
Boiling Point: | 128-133°C at 9 Torr |
Melting Point: | 181°C (dec.) |
Density: | 1.4800 g/cm3 |
MDL: | MFCD03030391 |
LogP: | 2.56380 |
GHS Hazard Statement: | H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
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Complexity: | 77 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.98401 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.98401 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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