(3-Chloropropyl)benzene
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Basic information
- CAS
104-52-9- Standard SMILES
ClCCCc1ccccc1- InChIKey
XZBXAYCCBFTQHH-UHFFFAOYSA-N- Molecular formula
- C9H11Cl
- Average molar mass
- 154.63 g/mol
- Monoisotopic mass
- 154.05492803
Names & identifiers
- Preferred name
- (3-Chloropropyl)benzene
- IUPAC
- 3-chloropropylbenzene
- English name
- 1-Chloro-3-phenylpropane
- Molecular formula
- C9H11Cl
- Molecular weight
- 154.64
Names & synonyms
1-Chloro-3-phenylpropane(3-CHLOROPROPYL)BENZENE104-52-93-Phenylpropyl chlorideBenzene, (3-chloropropyl)-3-Phenyl-1-chloropropane3-Chloro-1-phenylpropane.gamma.-Chloropropylbenzene.gamma.-Phenylpropyl chlorideE2L2KN77K8AI3-23863EINECS 203-210-2
Show more names
Alverine ImpurityAlverine Impurity A1-Chloro-3-phenylpro3-Penylpropylchloride(3-Chlorpropyl)benzolAlverine EP Impurity A-Chloro-3-phenylpropane1-Choro-3-phenylpropane
NSC 16939NSC-16939DTXSID10146206ALVERINE CITRATE IMPURITY A [EP IMPURITY]gamma-ChloropropylbenzeneALVERINE CITRATE IMPURITY A (EP IMPURITY)gamma-Phenylpropyl chlorideRefChem:400117
Database identifiers
- CAS
104-52-9- PubChem CID
- 7706
- DTXSID
DTXSID10146206- ChEMBL
CHEMBL1234093- UNII
- E2L2KN77K8
- EC Number
- 203-210-2
- Nikkaji
- J100.166C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 74.8
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
LogP3.55
Physicochemical properties
- Melting point
- -27 °C · -27 °C
- Boiling point
- 219 °C · 219 °C (lit.)
- Density
- 1.08 g/mL · 1.08 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.521(lit.)
- Flash point
- 189 °F · 189 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Water Solubility
- SLIGHTLY SOLUBLE
- BRN
- 507635 · 507635
- InChI
- InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
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
This chemical does not meet GHS hazard criteria for 5.7% (3 of 53) of reports.
Warning
H315 (92.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 10-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21056
3-Phenylpropyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (92.5%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- hs_code
- 29036990
- risk_code
- 38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 23-28-37
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H227-H319-H335
Chemistry & industry
Applications
Uses1-Chloro-3-phenylpropane is used as alvirin intermediate.
Upstream & downstream products
Downstream products
Related reactions
21 records
Compound notes
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