Basic information
- CAS
17587-08-5- Standard SMILES
OCCc1nn[nH]n1- InChIKey
HVKDTPAQOXWHHG-UHFFFAOYSA-N- Molecular formula
- C3H6N4O
- Average molar mass
- 114.11 g/mol
- Monoisotopic mass
- 114.05416083
Names & identifiers
- Preferred name
- 2-(1H-1,2,3,4-tetrazol-5-yl)ethan-1-ol
- IUPAC
- 2-(2H-tetrazol-5-yl)ethanol
- English name
- 2-(2H-Tetrazol-5-yl)-ethanol
- Molecular formula
- C3H6N4O
- Molecular weight
- 114.11
Names & synonyms
2-(1H-1,2,3,4-tetrazol-5-yl)ethan-1-olRefChem:451306851-230-017587-08-52-(2H-tetrazol-5-yl)ethanol2h-tetrazole-5-ethanol2-(2H-TETRAZOL-5-YL)-ETHANOL2-(1H-TETRAZOL-5-YL)ETHANOL5-(2-hydroxyethyl)tetrazole2-(2H-tetrazol-5-yl)ethan-1-olMFCD038560192-(2H-1,2,3,4-tetraazol-5-yl)ethan-1-ol
Show more names
2-(2H-1,2,3,4-TETRAZOL-5-YL)-1-ETHANOL2-(1H-tetrazol-5-yl)ethanol(SALTDATA: FREE)
hydroxyethyltetrazoleMFCD08059926NSC141936SCHEMBL1680255SCHEMBL1680256SCHEMBL2948127SCHEMBL3587445SCHEMBL3843295
Database identifiers
- CAS
17587-08-5- PubChem CID
- 285162
- DTXSID
DTXSID50301236- EC Number
- 851-230-0
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.3
Physicochemical properties
- Boiling point
- 359.9 · 359.9±44.0 °C(Predicted)
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
- pka
- 4.65 · 4.65±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-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 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers27 total
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
宁波奕睿生物科技有限公司15221000252 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
南通增德瑞生物科技有限公司0513-87582998 13912206938 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
宁夏碧翠丝医药科技有限公司15769589321 1548536191 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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