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Chemical Product CAS:60827-45-41,2-Propanediol,3-chloro-, (2S)-

CAS:60827-45-4
1,2-Propanediol,3-chloro-, (2S)-

  • CAS No:

    60827-45-4
  • Name:

    1,2-Propanediol,3-chloro-, (2S)-
  • Molecular Formula:

    C3H7ClO2
  • Molecular Weight:

    110.54
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1,2-Propanediol,3-chloro-, (2S)- ( CASNO:60827-45-4 )

Identification and Related Records
Name:
1,2-Propanediol,3-chloro-, (2S)-
CAS Registry number:
60827-45-4
Iupac name:
(2S)-3-chloropropane-1,2-diol
Synonyms:
1,2-Propanediol,3-chloro-, (S)-
(+)-3-Chloro-1,2-propanediol
(2S)-3-Chloro-1,2-propanediol
(S)-3-Chloro-1,2-propanediol
(S)-Monochlorohydrin
(S)-a-Chlorohydrin
S-(+)-a-Chlorohydrin
EINECS(EC#):
202-492-4
Molecular Formula:
C3H7ClO2
Molecular Weight:
110.54
Inchi:
InChI=1/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1
Canonical SMILES:
C(C(CCl)O)O
Isomers smiles:
C([C@@H](CCl)O)O
Chemical and Physical Properties
Appearance:
clear yellow to orange-yellow liquid
Density:
1.322
Boiling Point:
213℃
Refractive Index:
1.479-1.481
Flash Point:
113.3 ºC
Color/Form:
very deep yellow
Computed Properties:
Molecular Weight:110.53948 [g/mol]
Molecular Formula:C3H7ClO2
XLogP3-AA:-0.5
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:110.013457
MonoIsotopic Mass:110.013457
Topological Polar Surface Area:40.5
Heavy Atom Count:6
Formal Charge:0
Complexity:32
Isotope Atom Count:0
Defined Atom Stereocenter Count:1
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:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:9
Safety and Handling
Hazard Codes:
T:Toxic;
Risk Statements:
R21;R23/25;R36/37/38;R62;R68
Safety Statements:
S26;S36/37/39;S45
HazardClass:
6.1
Safety:
Hazard Codes: ToxicT
Risk Statements: 21-41-68-62-36/37/38-23/25
R21: Harmful in contact with skin. 
R23/25: Toxic by inhalation and if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin. 
R62: Risk of impaired fertility. 
R68: Possible risk of irreversible effects. 
R41: Risk of serious damage to the eyes.
Safety Statements: 26-28-45-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S28: After contact with skin, wash immediately with plenty of soap-suds. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2689 6.1/PG 3
WGK Germany: 3
RTECS: TY4202300
F: 3-10
HazardClass: 6.1
PackingGroup: III
PackingGroup:
III
Transport:
UN 2689
Specification:
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage: Store 1,2-Propanediol,3-chloro-,(2S)- (CAS NO.60827-45-4) in a cool, dry place. Store in a tightly closed container.
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