CAS 1120-82-7 Pyrazol-1-yl-methanol (HCID 242224)

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Basic information

CAS: 1120-82-7
Standard SMILES: OCn1cccn1
InChIKey: BYUMAPPWWKNLNX-UHFFFAOYSA-N
Molecular formula: C4H6N2O
Average molar mass: 98.1 g/mol
Monoisotopic mass: 98.04801282

Names & identifiers

Preferred name: Pyrazol-1-yl-methanol
IUPAC: pyrazol-1-ylmethanol
English name: Pyrazol-1-yl-methanol
Molecular formula: C4H6N2O
Molecular weight: 98.1

Names & synonyms

Pyrazol-1-yl-methanolDTXSID10287360RefChem:1097214DTXCID002385081120-82-7(1H-pyrazol-1-yl)methanolpyrazol-1-ylmethanol1H-pyrazole-1-methanolPyrazole-1-methanol1-(hydroxymethyl)pyrazole1H-pyrazolyl-1-methanol1-Pyrazolylmethanol

Show more names

NSC 50562.PYRAZOLE-1-YL-METHANOL1H-pyrazol-1-ylMethanolPyrazol-1-yl-methanol?New

N-(Hydroxymethyl)pyrazoleMFCD00955584NSC-505621H-Pyrazol-1-yl-1-methanol1-hydroxymethylpyrazoleH9353M23XPUNII-H9353M23XPNSC50562

Database identifiers

CAS: 1120-82-7
PubChem CID: 242224
DTXSID: DTXSID10287360
UNII: H9353M23XP
Nikkaji: J792.778I

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 57

Physicochemical properties

Melting point: 89 · 89-90℃ (ethanol water )
Boiling point: 214 · 214.0±23.0℃ (760 Torr)
Density: 1.21 · 1.21±0.1 g/cm3 (20 ºC 760 Torr)
Flash point: 83.2 · 83.2±22.6℃
storage temp.: Sealed in dry,Room Temperature
pka: 13.14 · 13.14±0.10(Predicted)
Appearance: White to off-white Solid
FDA UNII: 9353 M23XP · H9353M23XP
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Downstream products

1-(chloromethyl)pyrazole hydrochloride

Suppliers54 total

上海康恩博医药科技有限公司17510465506 · [email protected]

上海莉凯化工技术有限公司16628776521 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

Related reactions

2 records

New reaction record

HRID 674802As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1995032As reactantuspto-grants-1983_09

Compound notes

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