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1-Bromo-4-Butylbenzene

Catalog Number
ACM41492051
CAS Number
41492-05-1
Product Name
1-Bromo-4-Butylbenzene
Structure
Category
Liquid Crystal (LC) Building Blocks
Synonyms
p-Bromo-n-butylbenzene
IUPAC Name
1-bromo-4-butylbenzene
Molecular Weight
213.11
Molecular Formula
C10H13Br
Canonical SMILES
CCCCC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChI Key
BRGVKVZXDWGJBX-UHFFFAOYSA-N
Boiling Point
242 °C
Melting Point
-25.5 °C
Purity
99%+
Density
1.208 g/ml
Appearance
Colorless to light yellow liquid
Complexity
93
Covalently-Bonded Unit Count
1
EC Number
472-210-4;609-932-8
Exact Mass
212.02006g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
11
MDL Number
MFCD00040934
Monoisotopic Mass
212.02006g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face 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.
Refractive Index
1.53
Rotatable Bond Count
3
Signal Word
Warning
Specific Gravity
1.24
XLogP3
4.4
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