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  • Ethanone,1-(3-chlorophenyl)
Name:Ethanone,1-(3-chlorophenyl)
CAS No:99-02-5

PRODUCT DESCRIPTION

【Name】
Ethanone,1-(3-chlorophenyl)-
【CAS Registry number】
99-02-5
【Synonyms】
Acetophenone,3'-chloro- (7CI,8CI)
1-(3-Chlorophenyl)ethanone
1-Acetyl-3-chlorobenzene
3-Chlorophenyl methyl ketone
Methyl 3-chlorophenylketone
m-Chloroacetophenone
3-Chloroacetophenone
【EINECS(EC#)】
202-721-8
【Molecular Formula】
C8H7ClO (Products with the same molecular formula)
【Molecular Weight】
154.59
【Inchi】
InChI=1/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
【InChIKey】
UUWJBXKHMMQDED-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)C1=CC(=CC=C1)Cl
【MOL File】
99-02-5.mol

Chemical and Physical Properties

【Appearance】
Clear, colorless liquid.
【Density】
1.184
【Boiling Point】
241℃
【Refractive Index】
1.548-1.551
【Flash Point】
105℃
【Solubilities】
Insoluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29147090
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:154.59358 [g/mol]
Molecular Formula:C8H7ClO
XLogP3:2.5
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:154.018543
MonoIsotopic Mass:154.018543
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Formal Charge:0
Complexity:133
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 Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
6.1
【Hazard Note】

Harmful/Irritant/Lachrymatory

【PackingGroup 】
II
【Sensitive】
Lachrymatory
【Transport】
UN 3416 6.1/PG 2

Biomedical Effects and Toxicity

【Pharmacological Action】
- Drugs that act locally on cutaneous or mucosal surfaces to produce inflammation; those that cause redness due to hyperemia are rubefacients; those that raise blisters are vesicants and those that penetrate sebaceous glands and cause abscesses are pustulants; tear gases and mustard gases are also irritants.
- Gases that irritate the eyes, throat, or skin. Severe lacrimation develops upon irritation of the eyes.

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