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5-Hydroxymethylthiazole(CAS No. 38585-74-9)

5-Hydroxymethylthiazole C4H5NOS (cas 38585-74-9) Molecular Structure

38585-74-9 Structure

Identification and Related Records

【Name】
5-Hydroxymethylthiazole
【Iupac name】
1,3-thiazol-5-ylmethanol
【CAS Registry number】
38585-74-9
【Synonyms】
(1,3-Thiazol-5-yl)methanol
5-(Hydroxymethyl)-1,3-thiazole
5-(Hydroxymethyl)thiazole
Thiazol-5-ylmethanol
Rarechem al bd 1261
5-Thiazole methanol
【EINECS(EC#)】
414-780-9
【Molecular Formula】
C4H5NOS (Products with the same molecular formula)
【Molecular Weight】
115.15
【Inchi】
InChI=1/C4H5NOS/c6-2-4-1-5-3-7-4/h1,3,6H,2H2
【Canonical SMILES】
C1=C(SC=N1)CO
【MOL File】
38585-74-9.mol

Chemical and Physical Properties

【Appearance】
Pale-yellow oil
【Density】
1.339 g/cm3
【Boiling Point】
248.5 oC at 760 mmHg
【Refractive Index】
1.594
【Flash Point】
104.1 oC
【Computed Properties】
Molecular Weight:115.1536 [g/mol]
Molecular Formula:C4H5NOS
XLogP3-AA:0.1
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:115.009184
MonoIsotopic Mass:115.009184
Topological Polar Surface Area:61.4
Heavy Atom Count:7
Formal Charge:0
Complexity:59.7
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xi: Irritant;Xn: Harmful;
【Risk Statements】
R36/37/38
【Safety Statements 】
26-36/37/39-61-39-36-22
【Hazard Note】

Irritant

【Safety】

Hazard Codes:?IrritantXi,Xn
Risk Statements:?36/37/38-52/53-41-40?
R36/37/38: Irritating to eyes, respiratory system and skin.?
R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.?
R41: Risk of serious damage to the eyes.?
R40: Limited evidence of a carcinogenic effect.
Safety Statements:?26-36/37/39-61-22
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.?
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.?
S22: Do not breathe dust.

Supplier Location

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