ChemicalBook--->CAS DataBase List--->1615-02-7

1615-02-7

1615-02-7 Structure

1615-02-7 Structure
IdentificationMore
[Name]

4-Chlorocinnamic acid
[CAS]

1615-02-7
[Synonyms]

3-(4-CHLOROPHENYL)ACRYLIC ACID
4-CHLOROCINNAMIC ACID
AKOS 92736
P-CHLOROCINNAMIC ACID
RARECHEM BK HC T318
TIMTEC-BB SBB008203
TRANS-3-(4-CHLOROPHENYL)PROPENOIC ACID
(2E)-3-(4-Chlorophenyl)-2-propenoic acid
2-Propenoic acid, 3-(4-chlorophenyl)-
3-(4-chlorophenyl)-2-propenoicaci
3-(4-chlorophenyl)-2-propenoicacid
3-(p-Chlorophenyl)acrylic acid
3-(p-chlorophenyl)acrylicacid
Cinnamic acid, p-chloro-
p-chloro-cinnamicaci
trans-4-Chlorocinnamic acid
β-(p-Chlorophenyl)-acrylicacid
(2E)-3-(4-chlorophenyl)prop-2-enoic acid
4-CHLOROCINNAMIC ACID, 99%, PREDOMINANTL Y TRANS
4-Chlorocinnamic acid, predominantly trans, 99%
[EINECS(EC#)]

216-564-8
[Molecular Formula]

C9H7ClO2
[MDL Number]

MFCD00004396
[Molecular Weight]

182.6
[MOL File]

1615-02-7.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

248-250 °C(lit.)
[Boiling point ]

260.71°C (rough estimate)
[density ]

1.2377 (rough estimate)
[refractive index ]

1.5426 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Fine Crystalline Powder
[pka]

4.41(at 25℃)
[color ]

White
[Detection Methods]

HPLC,NMR
[BRN ]

1365308
[InChI]

InChI=1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)
[InChIKey]

GXLIFJYFGMHYDY-ZZXKWVIFSA-N
[SMILES]

C(O)(=O)C=CC1=CC=C(Cl)C=C1
[CAS DataBase Reference]

1615-02-7(CAS DataBase Reference)
[NIST Chemistry Reference]

p-Chlorocinnamic acid(1615-02-7)
[EPA Substance Registry System]

1615-02-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335-H302
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

GD8490000
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Chlorobenzaldehyde
[Preparation Products]

3-(4-Chlorophenyl)propanoic acid-->DL-4-Chlorophenylalanine-->7-Chloro-1-hydroxyisoquinoline-->3-(4-Chlorophenyl)propan-1-ol-->2-(4-Chlorostyryl)-1H-1,3-benzimidazole-->3-(4-chlorophenyl)-N-methoxy-N-methylacrylamide-->p-Chlorocinnamoyl chloride
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Chlorocinnamic acid(1615-02-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

4-Chlorocinnamic Acid is a derivative of Cinnamic Acid (C442030) and plays an important role in the development of plants. 4-Chlorocinnamic Acid may also show potential antimicrobial, antioxidant, anti-inflammatory, and antitumoral activity.
[Definition]

ChEBI: 4-chlorocinnamic acid is an organochlorine compound comprising trans-cinnamic acid having a chloro substituent at the 4-position on the phenyl ring. It is functionally related to a trans-cinnamic acid.
[Synthesis]

To a 100mL three-necked round-bottomed flask, 1.41g (0.01mol) of p-chlorobenzaldehyde, 1.27g (0.011mol) of malonic acid, and 0.77g (0.01mol) of ammonium acetate were added and mixed well. A thermometer and a spherical condenser tube were connected and the
[Purification Methods]

Recrystallise the acid from EtOH or aqueous EtOH (charcoal). UV has max at 275nm (EtOH). [Walling & Wolfstirn J Am Chem Soc 69 852 1947, Beilstein 9 H 596, 9 II 395, 9 III 2727, 9 IV 2033.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chlorocinnamic acid(1615-02-7)1HNMR
4-Chlorocinnamic acid(1615-02-7)FT-IR
4-Chlorocinnamic acid(1615-02-7)Raman
4-Chlorocinnamic acid(1615-02-7)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chlorocinnamic acid, predominantly trans, 99%(1615-02-7)
[Alfa Aesar]

4-Chlorocinnamic acid, predominantly trans, 99%(1615-02-7)
[Sigma Aldrich]

1615-02-7(sigmaaldrich)
[TCI AMERICA]

4-Chlorocinnamic Acid,>98.0%(T)(1615-02-7)
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