4-(2-Naphthyl)-1,3-thiazol-2-amine

HCID 673702

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

4-(2-naphthyl)-1,3-thiazol-2-amine2-AMINO-4-(2-NAPHTHYL)THIAZOLEEC 606-740-6RefChem:512686606-740-621331-43-14-(NAPHTHALEN-2-YL)THIAZOL-2-AMINE4-Naphthalen-2-yl-thiazol-2-ylamine4-(naphthalen-2-yl)-1,3-thiazol-2-amine4-naphthalen-2-yl-1,3-thiazol-2-amineMFCD000464524-Naphthalen-2-yl-thiazol-2-yl-amine
Show more names
AKOS BBS-00000618TIMTEC-BB SBB000670IFLAB-BB F1386-03774-(2-Naphthyl)-2-thiazolamine[4-(2-naphthyl)thiazol-2-yl]amine
MLS0006883364-(2-Naphthyl)thiazol-2-amineSMR0002837574-(2-naphthyl)-1,3-thiazole-2-ylamine4-(2-naphthalenyl)-2-thiazolaminecid_673702SCHEMBL3134144CHEMBL1372017

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

Experimental & physicochemical properties

Solubility11.8 [ug/mL] (The mean of the results at pH 7.4)

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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 InformationStatus: Active Update: 08-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26580
Hazard Classes and CategoriesAcute Tox. 3 (12.5%);Acute Tox. 4 (12.5%);Skin Irrit. 2 (87.5%);Skin Sens. 1 (25%);Eye Dam. 1 (12.5%);Eye Irrit. 2 (75%);STOT SE 3 (87.5%);Aquatic Acute 1 (12.5%);Aquatic Chronic 2 (12.5%)

Regulatory information

Regulatory InformationStatus: Active Update: 08-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26580

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

Chemistry & industry

Suppliers47 total

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]

Related reactions

3 records

Compound notes

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