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