Basic information
- CAS
780-68-7- Standard SMILES
c1ccc(C23CC4CC(CC(C4)C2)C3)cc1- InChIKey
XACJBFHSZJWBBP-UHFFFAOYSA-N- Molecular formula
- C16H20
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.15650064
Names & identifiers
- Preferred name
- 1-Phenyladamantane
- IUPAC
- 1-phenyladamantane
- English name
- 1-Phenyladamantane
- Molecular formula
- C16H20
- Molecular weight
- 212.33
Names & synonyms
1-Phenyladamantane780-68-730176-62-6RefChem:435671DTXSID50878034DTXCID801016098660-891-2Phenyladamantane(Adamantyl-1)benzeneMFCD00154936adamantanylbenzene(3r,5r,7r)-1-phenyladamantane
Show more names
TIMTEC-BB SBB006297Adamant-1-ylbenzeneLABOTEST-BB LT00077083
Tricyclo[3.3.1.1(3,7)]decane, 1-phenyl-tricyclo[3.3.1.1~3,7~]decane, 1-phenyl-F0020-16461-phenyl-adamantane1-Phenyl Adamantane1-Phenyladamantane #CDS1_000884Maybridge1_005636
Database identifiers
- CAS
780-68-7- PubChem CID
- 522696
- DTXSID
DTXSID50878034- ChEMBL
CHEMBL3278515- EC Number
- 660-891-2
- Nikkaji
- J270.783G
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Experimental & physicochemical properties
LogP5.55
Physicochemical properties
- Melting point
- 84 °C · 84 °C
- Boiling point
- 310.175 · 310.175±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.07 · 1.070±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 36 · 36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2902900000 · 2902900000
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2A (100%)
Safety data
- hs_code
- 2902900000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H319-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses1-Phenyladamantane is used in preparation of Phenyladamantane.
Suppliers24 total
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
重庆茂环科技有限公司13996103726 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
苏州棓诺生物有限公司15862318862 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Related reactions
6 records
Compound notes
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