3-Heptylpyrrole
Basic information
- CAS
878-11-5- Standard SMILES
CCCCCCCc1cc[nH]c1- InChIKey
OVBAZQHUSHSARW-UHFFFAOYSA-N- Molecular formula
- C11H19N
- Average molar mass
- 165.27 g/mol
- Monoisotopic mass
- 165.15174961
Names & identifiers
- Preferred name
- 3-Heptylpyrrole
- IUPAC
- 3-heptyl-1H-pyrrole
- English name
- 3-Heptylpyrrole
- Molecular formula
- C11H19N
- Molecular weight
- 165.28
Names & synonyms
3-Heptylpyrrole878-11-5DTXSID90293106RefChem:279644DTXCID60244246679-994-93-heptyl-1H-pyrroleMFCD00191444SCHEMBL982603SCHEMBL2972683OVBAZQHUSHSARW-UHFFFAOYSA-NAKOS015839910
Show more names
Heptylpyrrole3-Heptylpyrrole>3-Heptyl-1H-pyrrole3-HEPTYLPYRROLE 97+%1H-Pyrrole, 3-heptyl-
SB62314SY054403DB-057025CS-0456769H0809T73026F7767333-Heptylpyrrole, 3-heptyl-1H-pyrrole, 878-11-5, AC1L5YTF, 1H-Pyrrole, 3-heptyl-, ACMC-209qq9, SureCN982603, CTK3E6375, ANW-38911, AKOS015839910, AG-J-19866, KB-32059, FT-0633064, H0809, Pyrrole,3-heptyl- (7CI); 3-Heptylpyrrole, A842376
Database identifiers
- CAS
878-11-5- PubChem CID
- 258374
- DTXSID
DTXSID90293106- EC Number
- 679-994-9
- Nikkaji
- J383.010A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 97 °C · 97 °C / 4.5mmHg
- Density
- 0.89 · 0.89
- refractive index
- 1.48 · 1.4800-1.4840
- form
- clear liquid
- pka
- 17.47 · 17.47±0.50(Predicted)
- color
- Colorless to Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 2933.99 · 2933.99.9701
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933.99.9701
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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