Dimethyl 4-bromophthalate - CAS 87639-57-4

Catalog:	BB077024
Product Name:	Dimethyl 4-bromophthalate
CAS:	87639-57-4
Synonyms:	Dimethyl 4-bromophthalate; Dimethyl 4-bromobenzene-1,2-dicarboxylate; 1,2-Benzenedicarboxylic acid, 4-bromo-, dimethyl ester; 1,2-BENZENEDICARBOXYLIC ACID,4-BROMO-,1,2-DIMETHYL ESTER; DIMETHYL4-BROMOPHTHALATE; 4-Bromophthalic acid=dimethyl

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	dimethyl 4-bromobenzene-1,2-dicarboxylate
Description:	Dimethyl 4-bromophthalate
Molecular Weight:	273.08
Molecular Formula:	C10H9BrO4
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)Br)C(=O)OC
InChI:	InChI=1S/C10H9BrO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,1-2H3
InChI Key:	AMNIKUDFXYWYSY-UHFFFAOYSA-N
Boiling Point:	177-178°C
Melting Point:	33-35°C
Purity:	98%
Density:	1.505±0.06 g/cm3

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Related Functional Groups

Arenes

[15522-59-5]
Tetrabutylammonium tetraphenylborate
[52159-67-8]
Methyl 3-chloro-2-hydroxybenzoate
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[1292836-16-8]
1-(4-Chloro-2-fluoro-5-nitrophenyl)ethanone
[605-02-7]
1-Phenylnaphthalene
[30879-49-3]
2'-Nitro-5'-hydroxyacetophenone

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[4860-03-1]
1-Chlorohexadecane

Oxygen Compounds

[544-62-7]
Batyl alcohol
[1427004-19-0]
DBCO-PEG4-NHS ester
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.96842
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	271.96842
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3