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4-Butylbenzoyl Chloride

Catalog Number
ACM28788627-1
CAS Number
28788-62-7
Product Name
4-Butylbenzoyl Chloride
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
IUPAC Name
4-butylbenzoyl chloride
Molecular Weight
196.67
Molecular Formula
C11H13CIO
Canonical SMILES
CCCCC1=CC=C(C=C1)C(=O)Cl
InChI
InChI=1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3
InChI Key
OUOWCSJYDCPVDM-UHFFFAOYSA-N
Purity
>96.0%(GC)(T)
Density
Moisture Sensitive
Appearance
Colorless to Light yellow clear liquid
Storage
Store under inert gas
Complexity
160
Covalently-Bonded Unit Count
1
EC Number
249-224-2
Exact Mass
196.065493g/mol
Formal Charge
0
Hazard Statements
H314 : Causes severe skin burns and eye damage.H290 : May be corrosive to metals.
Heavy Atom Count
13
MDL Number
MFCD00000699
Monoisotopic Mass
196.065493g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P234 : Keep only in original container.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P390 : Absorb spillage to prevent material damage.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.P363 : Wash contaminated clothing before reuse.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.P406 : Store in corrosive resistant container with a resistant inner liner.P405 : Store locked up.
Refractive Index
1.54
Rotatable Bond Count
4
Signal Word
Danger
Specific Gravity
1.08
XLogP3
5
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