1-(4-Chlorobutoxy)-3-methylbenzene
Basic information
- CAS
71648-39-0- Standard SMILES
Cc1cccc(OCCCCCl)c1- InChIKey
FVBUVUOPHWUVCR-UHFFFAOYSA-N- Molecular formula
- C11H15ClO
- Average molar mass
- 198.69 g/mol
- Monoisotopic mass
- 198.0811428
Names & identifiers
- Preferred name
- 1-(4-Chlorobutoxy)-3-methylbenzene
- IUPAC
- 1-(4-chlorobutoxy)-3-methylbenzene
- English name
- 1-(4-chlorobutoxy)-3-methylbenzene
- Molecular formula
- C11H15ClO
- Molecular weight
- 198.69
Names & synonyms
1-(4-Chlorobutoxy)-3-methylbenzene71648-39-0FGW9S6525AEINECS 275-769-0NSC-75874DTXSID40221893NSC 75874Benzene, 1-(4-chlorobutoxy)-3-methyl-RefChem:425193DTXCID70144384275-769-04-Chlorobutyl m-tolyl ether
Show more names
(4-chloro-butyl)-m-tolyl ether1-[(4-Chlorobutyl)oxy]-3-methylbenzene
4-(3-Methylphenoxy)Butyl ChlorideNSC75874Benzene,1-(4-chlorobutoxy)-3-methyl-UNII-FGW9S6525ASCHEMBL6304467AKOS011019636DS-009963NS00037264
Database identifiers
- CAS
71648-39-0- PubChem CID
- 96478
- DTXSID
DTXSID40221893- UNII
- FGW9S6525A
- EC Number
- 275-769-0
- Nikkaji
- J298.996D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- FDA UNII
- 9 S6525A · FGW9S6525A
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…