Basic information
- Standard SMILES
c1ccc2c(c1)CCCN2- InChIKey
LBUJPTNKIBCYBY-UHFFFAOYSA-N- Molecular formula
- C9H11N
- Average molar mass
- 133.19 g/mol
- Monoisotopic mass
- 133.08914935
Overview
1,2,3,4-tetrahydroquinoline is a member of the class of quinolines that is the 1,2,3,4-tetrahydro derivative of quinoline.
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydroquinoline
- IUPAC
- 1,2,3,4-tetrahydroquinoline
- English name
- 1,2,3,4-Tetrahydroquinoline
- Molecular formula
- C9H11N
- Molecular weight
- 133.19
Names & synonyms
1,2,3,4-Tetrahydroquinoline635-46-1KusolQuinoline, 1,2,3,4-tetrahydro-CCR50N1Z9GNSC-15311DTXSID8060903CHEBI:213323RefChem:71328DTXCID3043940211-237-61,2,3,4-Hydroquinoline
Show more names
Tetrahydroquinoline200g200G/1KG/5KG1-AZATETRALINAURORA KA-684AKOS BBS-000035961,2,3,4-TetrahydroquPy-Tetrahydroquinoline
1,2,3,4-Tetrahydro-quinolineMFCD000066931,2,3,4-tetrahydro quinolineUNII-CCR50N1Z9G1,2,3,4-Tetrahydrochinoline1,3,4-Tetrahydroquinoline3,4-dihydro-2H-quinolineAKOS000119058
Database identifiers
- CAS
635-46-1- PubChem CID
- 69460
- DTXSID
DTXSID8060903- ChEMBL
CHEMBL303611- ChEBI
CHEBI:213323- UNII
- CCR50N1Z9G
- EC Number
- 211-237-6
- Nikkaji
- J6.910H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quinolines
SpringerMaterials PropertiesChemical shift
Vapor Pressure0.04 [mmHg]
Physical DescriptionYellow liquid; [MSDSonline]
Physicochemical properties
- Melting point
- 9 · 9-14 °C (lit.)
- Boiling point
- 113 · 113-117 °C/10 mmHg (lit.) 249 °C (lit.)
- Density
- 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.593(lit.)
- Flash point
- 213 °F · 213 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Liquid
- pka
- 5.09 · 5.09±0.20(Predicted)
- color
- Clear pale yellow to yellow
- PH
- 10 · 10-11 (111g/l, H2O, 20℃)(as an emulsion)
- Odor
- 1 % · at 1.00 % in dipropylene glycol. honey civet animal phenolic
- Odor Type
- animal
- biological source
- synthetic
- Water Solubility
- 1 g/L · <1 g/L (20 ºC)
- FreezingPoint
- 11 to · 11.0 to 20.0 ℃
- BRN
- 116149 · 116149
- InChI
- 1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2
- InChIKey
- LBUJPTNKIBCYBY-UHFFFAOYSA-N
- SMILES
- C1CNc2ccccc2C1
- LogP
- 2.29 · 2.290
- CAS DataBase Reference
- 635 · 635-46-1(CAS DataBase Reference)
- FDA UNII
- 50 N1Z9G · CCR50N1Z9G
- NIST Chemistry Reference
- 1 · Quinoline, 1,2,3,4-tetrahydro-(635-46-1)
- EPA Substance Registry System
- 1 · 1,2,3,4-Tetrahydroquinoline (635-46-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H412
- Precautionary statements
- 264 · P264-P270-P273-P301+P310-P405-P501
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-45
- Safety Statements
- 26 · 26-36/37-36-45-53
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29334990 · 29334990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralAquatic · Acute Tox. 3 OralAquatic Chronic 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 13.4% (11 of 82) of reports.
Warning
H315 (76.8%): 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 82 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Quinoline, 1,2,3,4-tetrahydro-
Status: Active Update: 19-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27183
Quinoline, 1,2,3,4-tetrahydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A skin and respiratory tract irritant; May be absorbed through the skin; [MSDSonline] May be toxic to the CNS, cornea, retina, and optic nerve; May be absorbed by skin contact; Quinoline causes liver injury and liver cancer in animal experiments; See Quinoline.
Hazard Classes and CategoriesSkin Irrit. 2 (76.8%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29334990
- risk_code
- 36/37/38-45
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,T
- safety_code
- 26-36/37-36-45-53
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H412
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 3
- Precautionary statements
- P264-P270-P273-P301+P310-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinoline, 1,2,3,4-tetrahydro-: ACTIVE
Applications
Uses1,2,3,4-Tetrahydroquinoline is a reagent used in the synthesis of N-substituted benzoyl-1,2,3,4-tetrahydroquinolyl-1-carboxamides displaying fungicidal activity.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: A member of the class of quinolines that is the 1,2,3,4-tetrahydro derivative of quinoline.
Related reactions
422 records
Linked notes
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