Basic information
- CAS
93404-69-4- Standard SMILES
Nc1n[nH]c(-c2cccc3ccccc23)n1- InChIKey
RWDMSXRQOHSDKA-UHFFFAOYSA-N- Molecular formula
- C12H10N4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.09054634
Names & identifiers
- Preferred name
- 5-(naphthalen-1-yl)-4H-1,2,4-triazol-3-amine
- IUPAC
- 5-naphthalen-1-yl-1H-1,2,4-triazol-3-amine
- English name
- 5-(naphthalen-1-yl)-4H-1,2,4-triazol-3-amine
- Molecular formula
- C12H10N4
- Molecular weight
- 210.2346
Names & synonyms
5-(naphthalen-1-yl)-4H-1,2,4-triazol-3-amine93404-69-4RefChem:531441871-938-35-naphthalen-1-yl-1H-1,2,4-triazol-3-amine5-(1-naphthyl)-4H-1,2,4-triazol-3-amine5-Amino-3-(1-naphthyl)-1H-1,2,4-triazole5-(naphthalen-1-yl)-1H-1,2,4-triazol-3-amineSCHEMBL1399839SCHEMBL31305459RWDMSXRQOHSDKA-UHFFFAOYSA-NMFCD05182378
Show more names
AKOS000153589CCG-320393SY179697EN300-37355G21813Z285200484
Database identifiers
- CAS
93404-69-4- PubChem CID
- 3697937
- EC Number
- 871-938-3
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
5 records
Compound notes
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