Basic information
- CAS
42489-57-6- Standard SMILES
CC(C)Oc1ccccc1Cl- InChIKey
JJOKVZBVPCSGJM-UHFFFAOYSA-N- Molecular formula
- C9H11ClO
- Average molar mass
- 170.63 g/mol
- Monoisotopic mass
- 170.0498427
Names & identifiers
- Preferred name
- 1-Chloro-2-(1-methylethoxy)benzene
- IUPAC
- 1-chloro-2-propan-2-yloxybenzene
- English name
- 1-chloro-2-(1-methylethoxy)benzene
- Molecular formula
- C9H11ClO
- Molecular weight
- 170.64
Names & synonyms
42489-57-61-Chloro-2-(1-methylethoxy)benzene1-chloro-2-propan-2-yloxybenzeneQ06SD7S123EINECS 255-850-7NSC-26778DTXSID70195275NSC 26778O-CHLOROPHENYL ISOPROPYL ETHER2-CHLOROPHENYL ISOPROPYL ETHER1-CHLORO-2-(ISOPROPOXY)BENZENEBENZENE, 1-CHLORO-2-(1-METHYLETHOXY)-
Show more names
RefChem:75342DTXCID80117766255-850-71-chloro-2-isopropoxybenzene1-chloro-2-(propan-2-yloxy)benzeneMFCD00209638Benzene,1-chloro-2-(1-methylethoxy)-NSC26778
Database identifiers
- CAS
42489-57-6- PubChem CID
- 95271
- DTXSID
DTXSID70195275- UNII
- Q06SD7S123
- EC Number
- 255-850-7
- Nikkaji
- J309.933D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- FDA UNII
- 6 SD7S123 · Q06SD7S123
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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