1-Bromo-4-methoxy-2,5-dimethylbenzene - CAS 58106-25-5

Name: 1-Bromo-4-methoxy-2,5-dimethylbenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029933
Product Name:	1-Bromo-4-methoxy-2,5-dimethylbenzene
CAS:	58106-25-5
Synonyms:	1-bromo-4-methoxy-2,5-dimethylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-4-methoxy-2,5-dimethylbenzene
Description:	1-Bromo-4-methoxy-2,5-dimethylbenzene (CAS# 58106-25-5) is a useful research chemical.
Molecular Weight:	215.09
Molecular Formula:	C9H11BrO
Canonical SMILES:	CC1=CC(=C(C=C1Br)C)OC
InChI:	InChI=1S/C9H11BrO/c1-6-5-9(11-3)7(2)4-8(6)10/h4-5H,1-3H3
InChI Key:	YSSZMKUHFOKNPD-UHFFFAOYSA-N
Boiling Point:	250 °C at 760 mmHg
Density:	1.326 g/cm³
MDL:	MFCD01652198
LogP:	3.07450

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Related Functional Groups

Oxygen Compounds

[77987-49-6]C10H13NO3
Z-Glycinol
[1263034-11-2]C38H53N3O2
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[5416-55-7]C10H20O5
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020038464-A1	Fibric acid compound and medical use thereof	20180823
WO-2018089261-A2	Compounds and methods for modulating interleukin-2-inducible t-cell kinase	20161103
US-2017368051-A1	2-phenethenyltetrahydro isoquinolines useful as anti-hiv compounds	20141215
US-2014161736-A1	Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity	20121206
US-2015133491-A1	Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity	20121206

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.99933
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.99933
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3