CAS 99-91-2 4'-Chloroacetophenone - Materials / Alfa Chemistry

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4'-Chloroacetophenone

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Catalog Number

ACM99912

Product Name

4'-Chloroacetophenone

Structure

CAS

99-91-2

Category

Liquid Crystal (LC) Building Blocks

IUPAC Name

1-(4-chlorophenyl)ethanone

Molecular Weight

154.59

Molecular Formula

C8H7ClO

Canonical SMILES

CC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

InChI Key

BUZYGTVTZYSBCU-UHFFFAOYSA-N

Boiling Point

237 °C

Melting Point

15 °C

Purity

>97.0%(GC)

Density

1.1922 @ 20 °C/4 °C

Solubility

PRACTICALLY INSOL IN WATER; MISCIBLE WITH ALC, ETHER

Appearance

White or Colorless to Light yellow powder to lump to clear liquid

Color/Form

LIQUID

Complexity

125

Covalently-Bonded Unit Count

EC Number

202-800-7

Exact Mass

154.018542g/mol

Formal Charge

Hazard Statements

H330 : Fatal if inhaled.H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

Log P

2.32 (LogP);log Kow= 2.32 (experimental)

MDL Number

MFCD00000624

MeSH Entry Terms

4-chloroacetophenone

Monoisotopic Mass

154.018542g/mol

NSC Number

6115

Other Experimental

Henry's Law constant= 9.3X10-4 atm cu-m/mole @ 25 °C (est)

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P284 : Wear respiratory protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Refractive Index

1.55

Rotatable Bond Count

Signal Word

Danger

Specific Gravity

1.19

UNII

ZV4A71K303

Vapor Pressure

0.51 mm Hg @ 25 °C (est)

XLogP3