Basic information
- CAS
2217-40-5- Standard SMILES
NC1CCCc2ccccc21- InChIKey
JRZGPXSSNPTNMA-UHFFFAOYSA-N- Molecular formula
- C10H13N
- Average molar mass
- 147.22 g/mol
- Monoisotopic mass
- 147.10479942
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-1-naphthylamine
- IUPAC
- 1,2,3,4-tetrahydronaphthalen-1-amine
- English name
- 1,2,3,4-Tetrahydro-1-naphthylamine
- Molecular formula
- C10H13N
- Molecular weight
- 147.22
Names & synonyms
Show more names
Database identifiers
- CAS
2217-40-5、2954-50-9- PubChem CID
- 18066
- DTXSID
DTXSID70903059- UNII
- O7A3GV2PNX
- EC Number
- 218-712-7
- Nikkaji
- J135.688G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 246 · 246-247 °C/714 mmHg (lit.)
- Density
- 1.026 g/mL · 1.026 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.562(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- pka
- 9.39 · 9.39±0.20(Predicted)
- color
- Clear colorless to yellow
- Sensitive
- Air Sensitive
- InChI
- 1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2
- InChIKey
- JRZGPXSSNPTNMA-UHFFFAOYSA-N
- SMILES
- NC1CCCc2ccccc12
- CAS DataBase Reference
- 2217 · 2217-40-5(CAS DataBase Reference)
- FDA UNII
- 7 A3GV2PNX · O7A3GV2PNX
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-36
- WGK Germany
- 3 · 3
- HS Code
- 29214500 · 29214500
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (69.5%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (69.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (30.5%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (69.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (30.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (29.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (69.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 151 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory information
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29214500
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1,2,3,4-Tetrahydro-1-naphthylamine has been used in the preparation of new chiral phosphine-aminophosphine ligands.
General Description(R)-1,2,3,4-Tetrahydro-1-naphthylamine is an efficient reagent for iodocyclization of 4-aryl-4-pentenoic acids.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
Compound notes
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