(3-Chloropropoxy)benzene

HCID 76917

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Basic information

CAS: 3384-04-1
Standard SMILES: ClCCCOc1ccccc1
InChIKey: AZXLOLRTEJEZHJ-UHFFFAOYSA-N
Molecular formula: C9H11ClO
Average molar mass: 170.63 g/mol
Monoisotopic mass: 170.04984265

Names & identifiers

Preferred name: (3-Chloropropoxy)benzene
IUPAC: 3-chloropropoxybenzene
English name: (3-chloropropoxy)benzene
Molecular formula: C9H11ClO
Molecular weight: 170.64

Names & synonyms

(3-Chloropropoxy)benzene3384-04-1Benzene, (3-chloropropoxy)-DTXSID20187483EINECS 222-192-7NSC 404105AI3-17424RefChem:69110DTXCID30109974222-192-7(3-Chloro-propoxy)-benzene3-chloropropoxybenzene

Show more names

(3-Chloropropoxy)3-Phenoxy-1-chloropropane1-Phenoxy-3-chloropropane

3-chloropropyl phenyl ether1-chloro-3-phenoxypropane3-phenoxypropyl chlorideNSC-4041053chloropropoxybenzeneNSC4041053--chloropropoxybenzeneO-(3-chloropropyl)phenol

Database identifiers

CAS: 3384-04-1
PubChem CID: 76917
DTXSID: DTXSID20187483
UNII: Q9RMK5BZY9
EC Number: 222-192-7
Nikkaji: J205.472H

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 89.6

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: 12 °C · 12°C
Boiling point: 241.51 °C · 241.51°C (rough estimate)
Density: 1.1167 · 1.1167
refractive index: 1.5235 · 1.5235 (estimate)
FDA UNII: 9 RMK5BZY9 · Q9RMK5BZY9
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.