Basic information
- CAS
127988-22-1- Standard SMILES
Nc1cccc(Cn2cncn2)c1- InChIKey
LFINNEVQJQXPHN-UHFFFAOYSA-N- Molecular formula
- C9H10N4
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.09054634
Names & identifiers
- Preferred name
- 3-[(1H-1,2,4-triazol-1-yl)methyl]aniline
- IUPAC
- 3-(1,2,4-triazol-1-ylmethyl)aniline
- English name
- 3-(1H-1,2,4-Triazol-1-ylmethyl)aniline
- Molecular formula
- C9H10N4
- Molecular weight
- 174.2
Names & synonyms
3-[(1H-1,2,4-Triazol-1-yl)methyl]aniline3-((1H-1,2,4-Triazol-1-yl)methyl)anilineRefChem:488135858-020-8127988-22-13-(1H-1,2,4-triazol-1-ylmethyl)aniline3-(1,2,4-triazol-1-ylmethyl)aniline3-[(1,2,4-Triazol-1-yl)methyl]anilineMFCD08060528Benzenamine, 3-(1H-1,2,4-triazol-1-ylmethyl)-3-[1,2,4]Triazol-1-ylmethyl-phenylamine3-(1,2,4-triazolylmethyl)phenylamine
Show more names
1-(3-Aminobenzyl)-1H-1,2,4-triazole3-(1H-1,2,4-Triazol-1-ylmethyl)aniline 97%3-[(1H-1,2,4-Triazol-1-yl)methyl]aniline97%[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amine3-(1H-1,2,4-triazol-1-ylmethyl)aniline(SALTDATA: FREE)
Benzenamine,3-(1H-1,2,4-triazol-1-ylmethyl)-SCHEMBL1790853CHEMBL3804838SCHEMBL30084169DTXSID30424311LFINNEVQJQXPHN-UHFFFAOYSA-NALBB-013760AC3648
Database identifiers
- CAS
127988-22-1- PubChem CID
- 6482004
- DTXSID
DTXSID30424311- ChEMBL
CHEMBL3804838- EC Number
- 858-020-8
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 88 °C · 88 °C
- Boiling point
- 407.6 · 407.6±47.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 4.28 · 4.28±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P271
- Hazard Note
- Harmful
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P271
Chemistry & industry
Suppliers8 total
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
3 records
Compound notes
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