Basic information
- CAS
1008-97-5- Standard SMILES
Oc1ccc(N2CCCC2)cc1- InChIKey
UUIJPHGPERPMIF-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- p-(1-Pyrrolidinyl)phenol
- IUPAC
- 4-pyrrolidin-1-ylphenol
- English name
- p-(1-pyrrolidinyl)phenol
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
p-(1-Pyrrolidinyl)phenolEINECS 213-765-2RefChem:857912213-765-24-(pyrrolidin-1-yl)phenol1008-97-54-pyrrolidin-1-ylphenolMFCD005983484-pyrrolidino-phenolSCHEMBL657027Phenol, 4-(1-pyrrolidinyl)-SCHEMBL6399527
Show more names
4-(1-pyrrolidinyl)phenolPhenol,4-(1-pyrrolidinyl)-4-(pyrolidine-1-yl)benzenephenol
SCHEMBL15475005SCHEMBL28132736DTXSID00905748BAA00897AKOS006283672AS-93002DA-22946CS-0221907
Database identifiers
- CAS
1008-97-5- PubChem CID
- 70518
- DTXSID
DTXSID00905748- EC Number
- 213-765-2
- Nikkaji
- J217.123F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Melting point
- 147 °C · 147 °C(Solv: 1,4-dioxane (123-91-1); water (7732-18-5))
- Boiling point
- 325 · 325.0±25.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- pka
- 10.68 · 10.68±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification 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
- H319-H302-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers18 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
安徽合诺生物科技有限公司18455579438
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
福州福康医药科技有限公司18150835816 · [email protected]
南京天海医药科技有限公司025-58351158 13851454004 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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