Basic information
- CAS
62586-97-4- Standard SMILES
OC(c1ccc(Cl)cc1)(C1CC1)C1CC1- InChIKey
OVIMMGOKMSTAHQ-UHFFFAOYSA-N- Molecular formula
- C13H15ClO
- Average molar mass
- 222.71 g/mol
- Monoisotopic mass
- 222.0811428
Names & identifiers
- Preferred name
- 4-Chloro-alpha,alpha-dicyclopropylbenzenemethanol
- IUPAC
- (4-chlorophenyl)-dicyclopropylmethanol
- English name
- 4-chloro-alpha,alpha-dicyclopropylbenzyl alcohol
- Molecular formula
- C13H15ClO
- Molecular weight
- 222.71
Names & synonyms
4-Chloro-alpha,alpha-dicyclopropylbenzenemethanolRefChem:52171562586-97-4(4-chlorophenyl)dicyclopropylmethanol4-Chloro-alpha,alpha-dicyclopropylbenzyl alcoholBENZYL ALCOHOL, p-CHLORO-alpha,alpha-DICYCLOPROPYL-Benzenemethanol, 4-chloro-alpha,alpha-dicyclopropyl-BRN 2264250EINECS 263-616-04-Chlorophenyl dicyclopropyl carbinolp-Chloro-alpha,alpha-dicyclopropylbenzyl alcoholSCHEMBL5862698
Show more names
(4-chlorophenyl)-dicyclopropylmethanol4-Chloro-α,α-dicyclopropylbenzyl alcohol4-Chloro-α,α-dicyclopropylbenzenemethanolBenzenemethanol, 4-chloro-α,α-dicyclopropyl-
DTXSID30211622AKOS024323273(4-Chlorophenyl)di(cyclopropyl)methanol4-Chloro-|A,|A-dicyclopropylbenzenemethanolNS00035081
Database identifiers
- CAS
62586-97-4- PubChem CID
- 44096
- DTXSID
DTXSID30211622- EC Number
- 263-616-0
- Nikkaji
- J69.024D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 340.1 · 340.1±17.0 °C(Predicted)
- Density
- 1.328 · 1.328±0.06 g/cm3(Predicted)
- pka
- 14.02 · 14.02±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H335-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers3 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [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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