4-Chlorobutyl phenyl ether
Basic information
- CAS
2651-46-9- Standard SMILES
ClCCCCOc1ccccc1- InChIKey
JKXCPAVECBFBOC-UHFFFAOYSA-N- Molecular formula
- C10H13ClO
- Average molar mass
- 184.66 g/mol
- Monoisotopic mass
- 184.06549272
Names & identifiers
- Preferred name
- 4-Chlorobutyl phenyl ether
- IUPAC
- 4-chlorobutoxybenzene
- English name
- 4-Phenoxybutyl chloride
- Molecular formula
- C10H13ClO
- Molecular weight
- 184.66
Names & synonyms
Benzene, (4-chlorobutoxy)-4-Chlorobutyl phenyl etherEINECS 220-174-3AI3-17426DTXSID40181089NSC 78903RefChem:521973DTXCID00103580220-174-34-Phenoxybutyl chloride2651-46-9(4-Chlorobutoxy)benzene
Show more names
4-Phenoxybutyl chlor1-Phenoxy-4-chlorobutane4-Chlorobutyl phenyl ethe4-PhenoxybutylChloride>Benzene, (4-chlorobutoxy)-4-PHENOXYBUTYLCHLORIDE 99%
4-chlorobutoxybenzeneMFCD000010121-Chloro-4-phenoxybutaneNSC-789034-chloro-1-phenoxybutaneNSC78903(4-Chlorobutoxy) benzene(4-Chlorobutoxy);benzene
Database identifiers
- CAS
2651-46-9- PubChem CID
- 75857
- DTXSID
DTXSID40181089- UNII
- CB8ZAL4GU3
- EC Number
- 220-174-3
- Nikkaji
- J134.868J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- Boiling point
- 147 °C12 · 147 °C12 mm Hg(lit.)
- Density
- 1.068 g/mL · 1.068 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.522(lit.)
- Flash point
- 230 °F · >230 °F
- form
- clear liquid
- color
- Light yellow to Brown
- InChIKey
- JKXCPAVECBFBOC-UHFFFAOYSA-N
- CAS DataBase Reference
- 2651 · 2651-46-9
- NIST Chemistry Reference
- Benzene, (4-chlorobutoxy)-(2651-46-9)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H317-H315-H318
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- Hazard Codes
- Xi
- Risk Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2909.30.6000
- risk_code
- 37/38-41-43-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xi
- safety_code
- 26-36/37/39-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H335-H317-H315-H318
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
9 records
Compound notes
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