Basic information
- CAS
21331-43-1- Standard SMILES
Nc1nc(-c2ccc3ccccc3c2)cs1- InChIKey
GWDNDNTTXIIXRS-UHFFFAOYSA-N- Molecular formula
- C13H10N2S
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.0564695
Names & identifiers
- Preferred name
- 4-(2-Naphthyl)-1,3-thiazol-2-amine
- IUPAC
- 4-naphthalen-2-yl-1,3-thiazol-2-amine
- English name
- 2-Amino-4-(2-naphthyl)thiazole
- Molecular formula
- C13H10N2S
- Molecular weight
- 226.3
Names & synonyms
Show more names
Database identifiers
- CAS
21331-43-1- PubChem CID
- 673702
- DTXSID
DTXSID70350105- ChEMBL
CHEMBL1372017- EC Number
- 606-740-6
- Nikkaji
- J2.383.114G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 153 · 153-155°C
- Boiling point
- 443.9 · 443.9±14.0 °C(Predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- 2 · 2-8°C, protect from light
- form
- Powder
- pka
- 4.58 · 4.58±0.10(Predicted)
- Appearance
- White to yellow Solid
- BRN
- 173533 · 173533
- LogP
- 3.59 at · 3.59 at 25℃ and pH7.45-7.69
- CAS DataBase Reference
- 21331 · 21331-43-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (12.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H411 (12.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 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
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers47 total
Related reactions
Compound notes
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