n-Amyl mercaptan

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Sku: A100028-25ml
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Names and Identifiers

Pubchem Sid 488180677
Pubchem Sid Url

https://pubchem.ncbi.nlm.nih
.gov/substance/488180677
IUPAC Name pentane-1-thiol
INCHI InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChi Key ZRKMQKLGEQPLNS-UHFFFAOYSA-N
Canonical SMILES CCCCCS
Isomeric SMILES CCCCCS
WGK Germany 3
RTECS SA3150000
UN Number 1111
Packing Group II
Molecular Weight 104.21
Beilstein 1730979
Reaxy-Rn 1730979

 

Specifications

CAS 110-66-7
Molecular Weight 104.21
Beilstein Registry Number 1730979
EC Number 203-789-1
MDL number MFCD00004907
PubChem CID 8067
PubChem SID 488180677
Purity(GC) 98-100 (%)
Refractive index n20/D 1.445-1.449
Density (20°C) 0.842-0.846
Appearance（A100028) Colorless Liquid
Infrared spectrum Conforms to Structure

 

Chemical and Physical Properties

Solubility Insoluble in water, miscible in ethanol, ether, etc.
Sensitivity Air sensitive.Light sensitive.Moisture sensitive
Refractive Index 1.4439
Flash Point(°F) 18℃
Flash Point(°C) 18℃
Boil Point(°C) 123-124°C
Molecular Weight 104.220 g/mol
XLogP3 2.300
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 104.066 Da
Monoisotopic Mass 104.066 Da
Topological Polar Surface Area 1.000 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 19.900
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

 

Safety and Hazards(GHS)

Pictogram(s) GHS07 , GHS02
Signal Danger
Hazard Statements

H302:Harmful if swallowed

H225:Highly Flammable liquid and vapor

H332:Harmful if inhaled
Precautionary Statements

P261:Avoid breathing dust/fume/gas/mist/vapors/spray.

P280:Wear protective gloves/protective clothing/eye protection/face protection.

P370+P378:In case of fire: Use ... to extinguish.

P210:Keep away from heat, hot surface, sparks, open flames and other ignition sources. - No smoking.

P501:Dispose of contents/container to ...

P233:Keep container tightly closed.

P240:Ground/bond container and receiving equipment.

P264:Wash hands [and …] thoroughly after handling.

P403+P235:Store in a well-ventilated place. Keep cool.

P303+P361+P353:IF ON SKIN (or hair): Take off Immediately all contaminated clothing. Rinse SKIN with water [or shower].

P271:Use only outdoors or in a well-ventilated area.

P241:Use explosion-proof [electrical/ventilating/lighting/.../] equipment.

P270:Do not eat, drink or smoke when using this product.

P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P330:Rinse mouth.

P242:Use only non-sparking tools.

P243:Take precautionary measures against static discharge.

P301+P317:IF SWALLOWED: Get medical help.

P317:Get emergency medical help.
WGK Germany 3
RTECS SA3150000
Reaxy-Rn 1730979
Class 3
Merck Index 611


Documents

SDS

References

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