3-Bromo-4-methylaniline - CAS 7745-91-7

Catalog:	BB035945
Product Name:	3-Bromo-4-methylaniline
CAS:	7745-91-7
Synonyms:	3-bromo-4-methylaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-4-methylaniline
Description:	3-Bromo-4-methylaniline (CAS# 7745-91-7) is a compound useful in organic synthesis.
Molecular Weight:	186.05
Molecular Formula:	C7H8BrN
Canonical SMILES:	CC1=C(C=C(C=C1)N)Br
InChI:	InChI=1S/C7H8BrN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
InChI Key:	GRXMMIBZRMKADT-UHFFFAOYSA-N
Boiling Point:	254-257 °C
Melting Point:	27-30 °C
Purity:	98 %
Density:	1.498 g/cm³
Appearance:	Dark orange oil
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00134176
LogP:	2.92090

Publication Number	Title	Priority Date
CN-112125882-A	Method for synthesizing imatinib free base	20201012
CN-111848412-A	Method for efficiently realizing N-alkylation reaction by using cycloiridium catalyst	20200807
WO-2021203025-A1	1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
CN-113264945-A	Spiro derivative, preparation method and medical application thereof	20200217
WO-2021165346-A1	Gcn2 modulator compounds	20200217

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Related Functional Groups

Amines and Anilines

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[351-28-0]
3'-Fluoroacetanilide
[5071-96-5]
3-Methoxybenzylamine

GHS Hazard Statement:	H301 (97.83%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	94.9
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:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5