Methyl trans-4-Bromocinnamate - CAS 71205-17-9

Catalog:	BB034329
Product Name:	Methyl trans-4-Bromocinnamate
CAS:	71205-17-9
Synonyms:	(E)-3-(4-bromophenyl)-2-propenoic acid methyl ester; methyl (E)-3-(4-bromophenyl)prop-2-enoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl (E)-3-(4-bromophenyl)prop-2-enoate
Description:	Methyl trans-4-Bromocinnamate (CAS# 71205-17-9) is a useful research chemical.
Molecular Weight:	241.08
Molecular Formula:	C10H9BrO2
Canonical SMILES:	COC(=O)C=CC1=CC=C(C=C1)Br
InChI:	InChI=1S/C10H9BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
InChI Key:	MFKOGXVHZUSUAF-QPJJXVBHSA-N
Boiling Point:	311.4 °C at 760 mmHg
Density:	1.447 g/cm³
MDL:	MFCD00157162
LogP:	2.63530

Publication Number	Title	Priority Date
CN-112979513-A	Chiral sulfoxide containing styrene monomer and preparation method thereof	20210207
WO-2020178053-A1	Phenol derivatives for use as antimicrobial, antibacterial, bactericide	20190307
WO-2020146568-A1	Method for synthesis of diazabicyclo[6.2.0]decane related compounds	20190109
TW-202031671-A	Film forming composition	20181026
TW-201943839-A	Liquid crystal mixture and liquid crystal display	20180423

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	239.97859
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.97859
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3