3-Bromo-N,N-dimethylaniline - CAS 16518-62-0

Catalog:	BB012171
Product Name:	3-Bromo-N,N-dimethylaniline
CAS:	16518-62-0
Synonyms:	3-bromo-N,N-dimethylaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-N,N-dimethylaniline
Description:	3-Bromo-N,N-dimethylaniline (CAS# 16518-62-0) is a compound useful in organic synthesis.
Molecular Weight:	200.08
Molecular Formula:	C8H10BrN
Canonical SMILES:	CN(C)C1=CC(=CC=C1)Br
InChI:	InChI=1S/C8H10BrN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChI Key:	USEXQPWLCGBYNT-UHFFFAOYSA-N
Boiling Point:	126 °C / 14 mmHg
Melting Point:	11 °C
Purity:	98 %
Density:	12614 g/cm³
Appearance:	Light yellow liquid
MDL:	MFCD00045020
LogP:	2.51510

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Related Functional Groups

Amines and Anilines

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2-(Pyridin-3-ylmethoxy)aniline dihydrochloride

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[618-40-6]
1-Methyl-1-phenylhydrazine
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.99966
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.99966
Rotatable Bond Count:	1
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6