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4'-tert-Butyl-4-chlorobutyrophenone

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Name

4'-tert-Butyl-4-chlorobutyrophenone

EINECS 256-077-8
CAS No. 43076-61-5 Density 1.028 g/cm3
PSA 17.07000 LogP 4.18580
Solubility N/A Melting Point 47-49 °C(lit.)
Formula C14H19ClO Boiling Point 347.9 °C at 760 mmHg
Molecular Weight 238.757 Flash Point 207.6 °C
Transport Information UN 3077 9/PG 3 Appearance White to very slightly yellow powder
Safety 26-36/37/39-61-7/8-24/25 Risk Codes 22-41-43-51/53
Molecular Structure Molecular Structure of 43076-61-5 (4'-tert-Butyl-4-chlorobutyrophenone) Hazard Symbols HarmfulXn, DangerousN
Synonyms

Butyrophenone,4'-tert-butyl-4-chloro- (6CI);1-(4-tert-Butylphenyl)-4-chloro-1-butanone;4-Chloro-4'-tert-butylbutyrophenone;p-tert-Butyl-w-chlorobutyrophenone;

Article Data 9

4'-tert-Butyl-4-chlorobutyrophenone Chemical Properties

Product Name: 4'-tert-Butyl-4-chlorobutyrophenone (CAS NO.43076-61-5)

MF: C14H19ClO                                   
MW: 238.75 
Form: White to very slightly yellow powder
EINECS: 256-077-8
Index of Refraction: 1.504 
Density: 1.028 g/ml 
Flash Point: 207.6 °C 
Boiling Point: 347.9 °C
Melting Point: 47-49 °C
BRN: 780343 
Molar Refractivity: 68.78 cm3 
Molar Volume: 232 cm3
Surface Tension: 33.5 dyne/cm
Enthalpy of Vaporization: 59.22 kJ/mol
Vapour Pressure: 5.23E-05 mmHg at 25°C
XLogP3-AA: 4.2
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of 4'-tert-Butyl-4-chlorobutyrophenone (CAS NO.43076-61-5):
  IUPAC Name: 1-(4-tert-butylphenyl)-4-chlorobutan-1-one
  Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl
  InChI: InChI=1S/C14H19ClO/c1-14(2,3)12-8-6-11(7-9-12)13(16)5-4-10-15/h6-9H,4-5,10H2,1-3H3 
  InChIKey: RLKSQLJFGCDUOX-UHFFFAOYSA-N
Product Categories: BUILDING BLOCKS; C13 to C14; Carbonyl Compounds; Ketones

4'-tert-Butyl-4-chlorobutyrophenone Safety Profile

Safety information of 4'-Tert-Butyl-4-chlorobutyrophenone (43076-61-5):
Hazard Codes  Xn,N
Risk Statements  22-41-43-51/53
R22: Harmful if swallowed
R41: Risk of serious damage to eyes
R43: May cause sensitization by skin contact
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment 
Safety Statements  26-36/37/39-61-7/8-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S61: Avoid release to the environment. Refer to special instructions safety data sheet
S7/8: Keep container tightly closed and dry
S24/25: Avoid contact with skin and eyes
RIDADR  UN 3077 9/PG 3
WGK Germany  2

4'-tert-Butyl-4-chlorobutyrophenone Specification

 4'-tert-Butyl-4-chlorobutyrophenone , its CAS NO. is 43076-61-5, the synonyms are 4-Chloro-1-[4-(tert-butyl)phenyl]-1-butanone ; 4'-Tert-butyl-4-chlorobutyrophenone ; 4-Tert-butyl-gamma-chlorobutyrophenone ; 4-Chloro-1-[4-(1,1-dimethylphenyl)phenyl]-1-butanone . It stores in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.

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