Basic information
- CAS
23351-09-9- Standard SMILES
Oc1ccc(-n2cccc2)cc1- InChIKey
SSRBBYUGRMSIBT-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- p-(1H-Pyrrol-1-yl)phenol
- IUPAC
- 4-pyrrol-1-ylphenol
- English name
- 4-(1H-Pyrrol-1-yl)phenol
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
4-(1H-Pyrrol-1-yl)phenol23351-09-9p-(1H-Pyrrol-1-yl)phenolEINECS 245-600-5DTXSID30177916RefChem:857915DTXCID90100407245-600-54-pyrrol-1-ylphenolPhenol, 4-(1H-pyrrol-1-yl)-MFCD002165564-pyrrolylphenol
Show more names
TIMTEC-BB SBB0001284-(1H-Pyrrol-1-yl)phenol,97%4-(1H-Pyrrol-1-yl)phenolN-(4-Hydroxyphenyl)pyrrol
4-(1H-PYRROL-1-YL)-PHENOLN-(4-HYDROXYPHENYL)PYRROL1-(4-Hydroxyphenyl)-1H-pyrrole4-(1-Pyrrolyl)phenol4-(1 H-PYRROL-1-YL)PHENOL4-pyrrol-1-yl-phenol4-Pyrrol-1-yl phenol1-(4-hydroxyphenyl)pyrrole
Database identifiers
- CAS
23351-09-9- PubChem CID
- 90072
- DTXSID
DTXSID30177916- EC Number
- 245-600-5
- Nikkaji
- J228.936I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Melting point
- 119 · 119-122 °C(lit.)
- Boiling point
- 301.8 · 301.8±25.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder
- pka
- 9.09 · 9.09±0.26(Predicted)
- color
- Cream to light brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 26 · 26-36-36/37/39
- WGK Germany
- 3 · 3
- Hazard Note
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29339980
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36-36/37/39
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Chemistry & industry
Suppliers31 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
天津安浩生物科技有限公司[email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
Related reactions
9 records
Compound notes
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