4-(3-Chloro-1-(1-methylethoxy)propyl)toluene
Basic information
- CAS
71172-61-7- Standard SMILES
Cc1ccc(C(CCCl)OC(C)C)cc1- InChIKey
DZTPRCOFHITSFQ-UHFFFAOYSA-N- Molecular formula
- C13H19ClO
- Average molar mass
- 226.74 g/mol
- Monoisotopic mass
- 226.1124429
Names & identifiers
- Preferred name
- 4-(3-Chloro-1-(1-methylethoxy)propyl)toluene
- IUPAC
- 1-(3-chloro-1-propan-2-yloxypropyl)-4-methylbenzene
- English name
- 4-[3-chloro-1-(1-methylethoxy)propyl]toluene
- Molecular formula
- C13H19ClO
- Molecular weight
- 226.74
Names & synonyms
4-(3-Chloro-1-(1-methylethoxy)propyl)tolueneEINECS 275-235-74-[3-CHLORO-1-(1-METHYLETHOXY)PROPYL]TOLUENENSC 633751-[3-Chloro-1-(1-methylethoxy)propyl]-4-methylbenzene1-(3-Chloro-1-(1-methylethoxy)propyl)-4-methylbenzeneRefChem:513123275-235-771172-61-73-ISOPROPOXY-3-(P-TOLYL)-PROPYL CHLORIDENSC63375SCHEMBL6298461
Show more names
3-Isopropyloxy-3-(p-tolyl)propyl chloride1-(3-chloro-1-propan-2-yloxypropyl)-4-methylbenzeneBenzene, 1-[3-chloro-1-(1-methylethoxy)propyl]-4-methyl-
DZTPRCOFHITSFQ-UHFFFAOYSA-NDTXSID501212540NSC-63375AKOS024332406NS000634291-{3-Chloro-1-[(propan-2-yl)oxy]propyl}-4-methylbenzene
Database identifiers
- CAS
71172-61-7- PubChem CID
- 97974
- DTXSID
DTXSID501212540- EC Number
- 275-235-7
- Nikkaji
- J308.733F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, 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
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H411
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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