1-Chloro-4-(3-chloro-1-methoxypropyl)benzene
Basic information
- CAS
6630-41-7- Standard SMILES
COC(CCCl)c1ccc(Cl)cc1- InChIKey
WEMSZIUGMVBXTP-UHFFFAOYSA-N- Molecular formula
- C10H12Cl2O
- Average molar mass
- 219.1 g/mol
- Monoisotopic mass
- 218.0265204
Names & identifiers
- Preferred name
- 1-Chloro-4-(3-chloro-1-methoxypropyl)benzene
- IUPAC
- 1-chloro-4-(3-chloro-1-methoxypropyl)benzene
- English name
- 1-chloro-4-(3-chloro-1-methoxypropyl)benzene
- Molecular formula
- C10H12Cl2O
- Molecular weight
- 219.11
Names & synonyms
1-Chloro-4-(3-chloro-1-methoxypropyl)benzene6630-41-7EINECS 229-624-3P66SP95JZENSC-604003-methoxy-3-(p-chlorophenyl)-1-chloropropaneNSC 60400Benzene, 1-chloro-4-(3-chloro-1-methoxypropyl)-RefChem:75407229-624-33-(4-Chlorophenyl)-3-Methoxypropyl ChlorideNSC60400
Show more names
UNII-P66SP95JZESCHEMBL5662767DTXSID501257182AKOS024332189NS00046693
Database identifiers
- CAS
6630-41-7- PubChem CID
- 97935
- DTXSID
DTXSID501257182- UNII
- P66SP95JZE
- EC Number
- 229-624-3
- Nikkaji
- J298.022C
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 133
Physicochemical properties
- FDA UNII
- 66 SP95JZE · P66SP95JZE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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, P301+P317, P330, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
3 records
Compound notes
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