2-Bromo-N-methylaniline - CAS 6832-87-7

Catalog:	BB033530
Product Name:	2-Bromo-N-methylaniline
CAS:	6832-87-7
Synonyms:	2-bromo-N-methylaniline

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-N-methylaniline
Description:	2-Bromo-N-methylaniline (CAS# 6832-87-7) is a useful research chemical compound.
Molecular Weight:	186.05
Molecular Formula:	C7H8BrN
Canonical SMILES:	CNC1=CC=CC=C1Br
InChI:	InChI=1S/C7H8BrN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChI Key:	SMVIAQFTVWDWDS-UHFFFAOYSA-N
Boiling Point:	107-109 °C12 mmHg (lit.)
Purity:	98 %
Density:	1.589 g/mL at 25°C(lit.)
MDL:	MFCD06798064
LogP:	2.56380

Publication Number	Title	Priority Date
CN-112441934-A	Halogenated oxaallylamine compound and preparation method and application thereof	20201125
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
CN-110563593-A	Preparation method of N-methyl-4-bromoaniline	20190926
WO-2020252262-A1	Reagents and methods for replication, transcription, and translation in semi-synthetic organisms	20190614
WO-2020228649-A1	Substituted phenylpropenylpyridine derivative, and preparation method therefor and medical use thereof	20190510

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Related Functional Groups

Nitrogen Compounds

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[55877-31-1]
1-Benzofuran-3-carbonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[7492-88-8]
3-piperidinecarbonitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	85
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6