1,2,3,4-Tetrahydroquinoline
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Basic information
- CAS
635-46-1- 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 propertiesFilling in
- 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
- 20 °C · 20 °C (68 °F; 293 K)
- Boiling point
- 251 °C · 251 °C (484 °F; 524 K)
- Density
- 1.0599 g/cm3 · 1.0599 g/cm3
- refractive index
- 1.59 · 1.59
- Flash point
- 113 °C · 113 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 5.09 · 5.09±0.20(Predicted)
- form
- oily liquid
- color
- Colorless
- Odor
- 1 % · at 1.00 % in dipropylene glycol. honey civet animal phenolic
- PH
- 10 · 10-11 (111g/l, H2O, 20℃)(as an emulsion)
- 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
- 2933490090 · 2933490090
- 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
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
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
- 2933490090
- 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
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
Compound notes
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