2-Bromo-3-methoxyaniline - CAS 112970-44-2

Catalog:	BB003087
Product Name:	2-Bromo-3-methoxyaniline
CAS:	112970-44-2
Synonyms:	2-bromo-3-methoxyaniline; 2-bromo-3-methoxyaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-3-methoxyaniline
Description:	2-Bromo-3-methoxyaniline can be used to treat epilepsy.
Molecular Weight:	202.05
Molecular Formula:	C7H8BrNO
Canonical SMILES:	COC1=CC=CC(=C1Br)N
InChI:	InChI=1S/C7H8BrNO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,9H2,1H3
InChI Key:	TUNIZJPEKHLBPR-UHFFFAOYSA-N
Boiling Point:	273.053 °C at 760 mmHg
Density:	1.532 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	2.62110

Publication Number	Title	Priority Date
WO-2021048618-A1	1,4-dihydrobenzo[d]pyrazolo[3,4-f][1,3]diazepine derivatives and related compounds as lrrk2, nuak1 and/or tyk2 kinase modulators for the treatment of e.g. autoimmune disease	20190913
WO-2021048620-A1	1,4-dihydrobenzo[d]pyrazolo[3,4-f][1,3]diazepine derivatives and related compounds as lrrk2, nuak1 and/or tyk2 kinase modulators for the treatment of e.g. autoimmune disease	20190913
WO-2021046183-A1	Methods of treating epilepsy using the same	20190905
TW-202100532-A	Fused tricyclic compounds	20190305
WO-2020178282-A1	Fused tricyclic compounds useful as anticancer agents	20190305

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Related Functional Groups

Amines and Anilines

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine 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

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.97893
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.97893
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9