Basic information
- CAS
6658-59-9- Standard SMILES
COC(CCCl)c1ccc(C)cc1- InChIKey
BRGBFUVDFKKJQK-UHFFFAOYSA-N- Molecular formula
- C11H15ClO
- Average molar mass
- 198.69 g/mol
- Monoisotopic mass
- 198.0811428
Names & identifiers
- Preferred name
- 1-(3-Chloro-1-methoxypropyl)-4-methylbenzene
- IUPAC
- 1-(3-chloro-1-methoxypropyl)-4-methylbenzene
- English name
- 4-(3-chloro-1-methoxypropyl)toluene
- Molecular formula
- C11H15ClO
- Molecular weight
- 198.6892
Names & synonyms
1-(3-chloro-1-methoxypropyl)-4-methylbenzene4-(3-Chloro-1-methoxypropyl)tolueneEINECS 230-186-0DTXSID30985174NSC 662696658-59-9RefChem:423519DTXCID801412373230-186-06968-70-33-Methoxy-3-(4-Tolyl)-Propyl ChlorideNSC66269
Show more names
SCHEMBL5662476NSC-66269AKOS0063455093-methoxy-3-(p-tolyl)-1-chloropropaneNS00044474Benzene, 1-(3-chloro-1-methoxypropyl)-4-methyl-
Database identifiers
- CAS
6658-59-9、6968-70-3- PubChem CID
- 97994
- DTXSID
DTXSID30985174- EC Number
- 230-186-0
- Nikkaji
- J266.014H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
3 records
Compound notes
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