Basic information
- CAS
80866-95-1- Standard SMILES
c1cncc(Cn2cccc2)c1- InChIKey
PJVWPGGKILHMKW-UHFFFAOYSA-N- Molecular formula
- C10H10N2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.08439833
Names & identifiers
- Preferred name
- 3-(1H-pyrrol-1-ylmethyl)pyridine
- IUPAC
- 3-(pyrrol-1-ylmethyl)pyridine
- English name
- 3-(PYRROL-1-YLMETHYL)PYRIDINE
- Molecular formula
- C10H10N2
- Molecular weight
- 158.2
Names & synonyms
80866-95-13-(1H-Pyrrol-1-ylmethyl)pyridineEINECS 279-598-2DTXSID80230762RefChem:92090DTXCID10153253279-598-23-(Pyrrol-1-ylmethyl)pyridine3-((1H-pyrrol-1-yl)methyl)pyridine3-(1-Pyrrolylmethyl)pyridine3-[(1H-pyrrol-1-yl)methyl]pyridineMFCD00006405
Show more names
TIMTEC-BB SBB0039891-(3-PYRIDYLMETHYL)PYRROLEN-(PYRID-3-YLMETHYL)PYRROLE1-(3-Pyridylmethyl)-1H-pyrrole3-(1-Pyrrolylmethyl)pyridine>3-(1H-PYRROL-1-YLMETHYL)PYRIDINEPyridine,3-(1H-pyrrol-1-ylmethyl)-3-(PYRROL-1-YLMETHYL)PYRIDINE, 98+%
3-(pyrrolylmethyl)pyridineCDS1_000366A1BDLMaybridge1_002654J7QL7DDL4NDivK1c_001406orb3030126SCHEMBL4935379
Database identifiers
- CAS
80866-95-1- PubChem CID
- 697607
- DTXSID
DTXSID80230762- UNII
- J7QL7DDL4N
- EC Number
- 279-598-2
- Nikkaji
- J320.331J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 59 · 59-64 °C(lit.)
- Boiling point
- 273.29 °C · 273.29°C (rough estimate)
- Density
- 1.1192 · 1.1192 (rough estimate)
- refractive index
- 1.6392 · 1.6392 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 4.23 · 4.23±0.10(Predicted)
- color
- White to Light yellow to Light orange
- CAS DataBase Reference
- 80866 · 80866-95-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
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 41 reports by companies from 4 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
- 29329990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers31 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.
Related reactions
2 records
Compound notes
Loading…