CAS 1075-77-0 3-(4-Chlorophenyl)prop-2-enal (HCID 5924929)

Names & identifiers

Preferred name: 3-(4-Chlorophenyl)prop-2-enal
IUPAC: (E)-3-(4-chlorophenyl)prop-2-enal
English name: 4-Chlorocinnamaldehyde
Molecular formula: C9H7ClO
Molecular weight: 166.6

Names & synonyms

49678-02-64-CHLOROCINNAMALDEHYDE1075-77-03-(4-chlorophenyl)prop-2-enalRefChem:492945663-246-3887-559-1(E)-3-(4-Chlorophenyl)acrylaldehyde3-(4-Chlorophenyl)acrylaldehyde(E)-3-(4-chlorophenyl)prop-2-enalp-ChlorocinnamaldehydeMFCD00156880

Show more names

orocinnamaL4-CHLORO CINNAMALDEHYDE(E)-4-Chlorocinnamaldehyde4-ChlorocinnaMaldehyde 96%4- chlorocinnaMic aldehyde4-Chloro-trans-cinnamaldehyde(E)-3-(4-Chlorophenyl)propenal4-Chlorocinnamaldehyde USP/EP/BP

trans-p-Chlorocinnamaldehydetrans-4-chlorocinnamaldehyde(E)-3-(4-Chlorophenyl)-2-propenal2-Propenal, 3-(4-chlorophenyl)-, (2E)-4-Chlorocinnamaldehyde, 96%SCHEMBL431858SCHEMBL2342481HONRSHHPFBMLBT-OWOJBTEDSA-N

Database identifiers

CAS: 1075-77-0、49678-02-6
PubChem CID: 5924929
DTXSID: DTXSID401380742
EC Number: 663-246-3、887-559-1
Nikkaji: J432.421H、J953.646I

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 146

Physicochemical properties

Melting point: 57 · 57-63°C
Boiling point: 115 °C · 115 °C(Press: 2 Torr)
Density: 1.192 · 1.192±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
form: crystalline needles
color: White to off-white
InChI: InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
InChIKey: HONRSHHPFBMLBT-OWOJBTEDSA-N
SMILES: C(=O)/C=C/C1=CC=C(Cl)C=C1
CAS DataBase Reference: 49678 · 49678-02-6
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H317-H319
Precautionary statements: 280 · P280-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/38-43
Safety Statements: 26 · 26-36/37
WGK Germany: 3 · 3
HS Code: 2913000090 · 2913000090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)

Skin Sens. 1 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

wgk: 3
hs_code: 2913000090
risk_code: 36/38-43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H317-H319
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
Precautionary statements: P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesChlorinaldehyde has broad-spectrum antibacterial activity, exhibiting strong inhibitory activity against both Gram-positive bacteria (Staphylococcus aureus and Clostridium perfringens) and Gram-negative bacteria (Escherichia coli and Salmonella). Simultaneously, chlorinaldehyde can also promote animal growth. As a non-antibiotic, it leaves no residue in animal meat or the animal body, poses no harm to humans, and does not cause pollution to livestock products or the environment. It is an effective and safe alternative to feed antibiotics and can be added to feed as a growth promoter in the feed industry.