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1878-68-8

1878-68-8 Structure

1878-68-8 Structure
IdentificationMore
[Name]

4-Bromophenylacetic acid
[CAS]

1878-68-8
[Synonyms]

2-(4-BROMOPHENYL)ACETIC ACID
4-BROMOPHENYLACETIC ACID
AKOS BBS-00007001
ASISCHEM D13369
P-BROMOPHENYLACETIC ACID
RARECHEM AL BO 0130
(p-bromophenyl)-aceticaci
4-bromo-benzeneaceticaci
4-Bromobenzeneaceticacid
4-Bromophenylacetic acid acid
Acetic acid, (p-bromophenyl)-
Aceticacid,(p-bromophenyl)-
Benzeneacetic acid, 4-bromo-
Benzeneaceticacid,4-bromo-(9CI)
4-Bromophenylacetic acid 99%
4-BROMOPHENYLACETIC ACID 99+%
NSC 14358
[EINECS(EC#)]

217-523-7
[Molecular Formula]

C8H7BrO2
[MDL Number]

MFCD00004342
[Molecular Weight]

215.04
[MOL File]

1878-68-8.mol
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

114-117 °C(lit.)
[Boiling point ]

252.95°C (rough estimate)
[density ]

1.5313 (rough estimate)
[refractive index ]

1.4620 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

ethanol: soluble5%, clear, colorless to light yellow
[form ]

Crystalline Powder
[pka]

pK1: 4.188 (25°C)
[color ]

Almost white to light yellow-beige
[Water Solubility ]

SLIGHTLY SOLUBLE
[BRN ]

972146
[InChI]

1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
[InChIKey]

QOWSWEBLNVACCL-UHFFFAOYSA-N
[SMILES]

OC(=O)Cc1ccc(Br)cc1
[LogP]

2.310
[CAS DataBase Reference]

1878-68-8(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Bromophenylacetic acid(1878-68-8)
[EPA Substance Registry System]

1878-68-8(EPA Substance)
Questions And AnswerBack Directory
[Preparation]

50g of p-bromophenylacetone and 12.8g of sulfur were uniformly mixed with 30mL of morpholine and refluxed for 8 hours. Then, an ethanol solution containing NaOH was added and refluxed for another 6 hours. The reactants were then poured into water to distill off the ethanol. After acidification, cooling, and filtration, 25g of crude product was obtained. The crude product was purified by recrystallization with water to obtain 4-Bromophenylacetic acid.

Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

AF6325000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29163900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzene, 1-bromo-4-(2,2,2-trichloroethyl)--->Benzaldehyde, 4-bromo-, hydrazone-->4-Bromostyrene-->4-Bromobenzylboronic acid pinacol ester-->4-Bromomandelic acid-->Methyl 4-bromophenylacetate-->4-Bromobenzyl chloride-->4-Bromophenylacetonitrile
[Preparation Products]

2-(4-Bromophenyl)-2-methylpropionic acid-->Ethyl 4-bromophenylacetate-->4-Biphenylacetic acid-->methyl 2-(4-(chlorosulfonyl)phenyl)acetate-->Methyl 4'-bromo[1,1'-biphenyl]-4-carboxylate-->4-Boc-aminomethylphenylacetic acid-->1,3-Bis(4-bromophenyl)propanone-->2-(4-(methoxycarbonyl)phenyl)acetic acid-->2-(4-Bromophenyl)-propanedioic acid, 1,3-mdiethyl ester-->Benzene, 1,1'-(1,2-ethanediyl)bis[4-bromo-
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Bromophenylacetic acid(1878-68-8).msds
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

4-Bromophenylacetic acid was used as standard in the extraction of nonylphenol polyethoxy carboxylates with 1-4 ethoxy groups from sludge samples.
[Definition]

ChEBI: 4-Bromophenyl acetate is a monocarboxylic acid.
[Biochem/physiol Actions]

4-Bromophenylacetic acid is a growth inhibitory substance. It causes the depolarization effect on the transmembrane potential difference of tobacco protoplasts isolated from two genotypes differing in their sensitivity to auxins.
[Purification Methods]

The acid crystallises from H2O as needles. The acid chloride has b 238o/760mm, m 50o, and the anilide has m 174-175o. [Dippy & Williams J Chem Soc 161 1934, 1251 1948, Schwenk & Pala J Org Chem 11 798 1946, Beilstein 9 III 2275.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromophenylacetic acid(1878-68-8)MS
4-Bromophenylacetic acid(1878-68-8)1HNMR
4-Bromophenylacetic acid(1878-68-8)13CNMR
4-Bromophenylacetic acid(1878-68-8)IR1
4-Bromophenylacetic acid(1878-68-8)IR2
4-Bromophenylacetic acid(1878-68-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Bromophenylacetic acid, 99%(1878-68-8)
[Alfa Aesar]

4-Bromophenylacetic acid, 99%(1878-68-8)
[Sigma Aldrich]

1878-68-8(sigmaaldrich)
[TCI AMERICA]

4-Bromophenylacetic Acid,>98.0%(GC)(T)(1878-68-8)
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