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  • Phenylacetyl chloride
Name:Phenylacetyl chloride
CAS No:103-80-0

PRODUCT DESCRIPTION

【Name】
Phenylacetyl chloride
【Iupac name】
2-phenylacetyl chloride
【CAS Registry number】
103-80-0
【Synonyms】
Benzeneacetyl chloride
Phenacetyl chloride
Phenylacetic acid chloride
Phenylacetyl chloride
【EINECS(EC#)】
203-146-5
【Molecular Formula】
C8H7ClO (Products with the same molecular formula)
【Molecular Weight】
154.6
【Inchi】
InChI=1/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
【InChIKey】
VMZCDNSFRSVYKQ-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C(C=C1)CC(=O)Cl
【MOL File】
103-80-0.mol

Chemical and Physical Properties

【Appearance】
clear liquid
【Density】
1.16
【Melting Point】
91
【Boiling Point】
94-95℃ (12 torr)
【Vapour】
0.124mmHg at 25°C
【Refractive Index】
1.532-1.533
【Flash Point】
102℃
【Water】
Decomposes
【Solubilities】
Decomposes
【Stability】
Stable. Reacts with water. Incompatible with amines, most common metals, moisture, strong oxidizing agents.
【HS Code】
29163900
【Storage temp】
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Refrigerator (approx 4 C). Store protected from moisture.
【Computed Properties】
Molecular Weight:154.59358 [g/mol]
Molecular Formula:C8H7ClO
XLogP3:2.4
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:154.018543
MonoIsotopic Mass:154.018543
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Formal Charge:0
Complexity:116
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:14

Safety and Handling

【Hazard Codes】
C:Corrosive
【Risk Statements】
R34
【Safety Statements 】
S25;S36/37/39;S45
【HazardClass】
8
【Safety】
Hazard Codes:C
Risk Statements:34-37-14
34:Causes burns
37:Irritating to the respiratory system
14:Reacts violently with water
Safety Statements:26-36/37/39-45-25-27
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
25:Avoid contact with eyes
27:Take off immediately all contaminated clothing
RIDADR:UN 2577 8/PG 2
WGK Germany:3
HazardClass:8
PackingGroup:II
HS Code:29163900
【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Transport】
UN 2577
【Specification】

colourless liquid
Safety Statements:26-36/37/39-45-25-27
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
25:Avoid contact with eyes
27:Take off immediately all contaminated clothing

Biomedical Effects and Toxicity

【Pharmacological Action】
TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Contact with molten substance may cause severe burns to skin and eyes. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

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