3-Phenylpropanoyl chloride

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Names

[ CAS No. ]:
645-45-4

[ Name ]:
3-Phenylpropanoyl chloride

[Synonym ]:
MFCD00000748
β-Phenylpropanoyl chloride
3-Phenylpropionyl chloride
3-Phenyl propanoyl chlovide
3-Phenylpropanoyl chloride
β-Phenylpropionyl chloride
EINECS 211-443-6
Benzenepropanoyl chloride

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
232.0±0.0 °C at 760 mmHg

[ Melting Point ]:
−7-−5 °C(lit.)

[ Molecular Formula ]:
C₉H₉ClO

[ Molecular Weight ]:
168.620

[ Flash Point ]:
108.3±0.0 °C

[ Exact Mass ]:
168.034195

[ PSA ]:
17.07000

[ LogP ]:
2.65

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.528

[ Storage condition ]:
-20°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MW5652395

CHEMICAL NAME :: Hydrocinnamoyl chloride

CAS REGISTRY NUMBER :: 645-45-4

BEILSTEIN REFERENCE NO. :: 0742586

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H9-Cl-O

MOLECULAR WEIGHT :: 168.63

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,221,1954

Safety Information

[ Symbol ]:

GHS05, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314-H331

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C:Corrosive

[ Risk Phrases ]:
R20;R34

[ Safety Phrases ]:
S26-S36/37/39-S45-S8-S30-S23

[ RIDADR ]:
UN 3265 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
MW5652395

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
29163900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylpropanamide
Benzenepropanamide,N-cyclohexyl-
1,5-diphenylpent-1-yn-3-one
1-(3-phenylpropyl)piperidin-4-one
2'-Hydroxy-3-phenylpropiophenone
4-AMINO-1-INDANONE
1-(3-PENTYL)-PIPERAZINE
3-(2-Hydroxyphenyl)propionate
1-(4-methylsulfanylphenyl)-3-phenylpropan-1-one
1-Bromo-4-phenyl-2-butanone

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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